2-[[5-(benzimidazol-1-ylmethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C19H16N5O2S- MolecularWeight: 378.42764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H17N5O2S/c1-13-6-8-14(9-7-13)24-17(21-22-19(24)27-11-18(25)26)10-23-12-20-15-4-2-3-5-16(15)23/h2-9,12H,10-11H2,1H3,(H,25,26)/p-1