3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanamide

Systemtic Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanamide Openeye Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propanamide CAS Name: 3-[5-[2-(2-methyl-1-benzimidazolyl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanamide IUPAC Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanamide Traditional Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propionamide Formula: C21H23N6OS+ MolecularWeight: 407.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC3=[N+](C(=S)N(N3)CCC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC3=[N+](C(=S)N(N3)CCC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-15-23-17-9-5-6-10-18(17)25(15)13-12-20-24-26(14-11-19(22)28)21(29)27(20)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H2,22,28)/p+1