3-aminocarbonyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid

Systemtic Name: 3-aminocarbonyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid Openeye Name: 3-carbamoyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid CAS Name: 3-carbamoyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid IUPAC Name: 3-carbamoyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid Traditional Name: 3-carbamoyl-5-cyclopropyl-1-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-pyrazin-1-ium-2-carboxylic acid Formula: C25H24N9O3S+ MolecularWeight: 530.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1NN=C(S1)[N+]2=CC(=NC(C2C(=O)O)(C3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N)C6CC6

Isomeric SMILES

CC1NN=C(S1)[N+]2=CC(=NC(C2C(=O)O)(C3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N)C6CC6

InChI

InChI=1S/C25H23N9O3S/c1-13-28-31-24(38-13)34-12-19(15-6-7-15)27-25(23(26)37,20(34)22(35)36)16-10-8-14(9-11-16)17-4-2-3-5-18(17)21-29-32-33-30-21/h2-5,8-13,15,20H,6-7H2,1H3,(H4-,26,27,28,29,30,32,33,35,36,37)/p+1