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

Systemtic Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6S/c1-22-15(11-5-4-8-17-9-11)20-21-16(22)23-10-14-18-12-6-2-3-7-13(12)19-14/h2-9H,10H2,1H3,(H,18,19)