2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C18H17N5S2 MolecularWeight: 367.49108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CSC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CSC4=CC=CC=C4

InChI

InChI=1S/C18H17N5S2/c1-23-17(12-24-13-7-3-2-4-8-13)21-22-18(23)25-11-16-19-14-9-5-6-10-15(14)20-16/h2-10H,11-12H2,1H3,(H,19,20)