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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=NC=C4

InChI

InChI=1S/C17H16N6S/c1-2-23-16(12-7-9-18-10-8-12)21-22-17(23)24-11-15-19-13-5-3-4-6-14(13)20-15/h3-10H,2,11H2,1H3,(H,19,20)