2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H13N5S/c1-2-6-12(7-3-1)21-11-17-16(20-21)22-10-15-18-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,19)