1-[4-[3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[4-[3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

InChI

InChI=1S/C23H18N6OS/c1-15(30)16-9-11-17(12-10-16)29-21(26-27-23(29)31)14-28-20-8-3-2-6-18(20)25-22(28)19-7-4-5-13-24-19/h2-13H,14H2,1H3,(H,27,31)