5-[6-(4-aminophenyl)-3-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-[6-(4-aminophenyl)-3-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)-2-pyrazinyl]-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid Formula: C20H14N6O4S MolecularWeight: 434.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=NN=C(S3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=NN=C(S3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

InChI

InChI=1S/C20H14N6O4S/c21-12-7-5-10(6-8-12)13-14(9-1-3-11(4-2-9)19(27)28)24-16(22)15(23-13)17-25-26-18(31-17)20(29)30/h1-8H,21H2,(H2,22,24)(H,27,28)(H,29,30)