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

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C18H16N6S MolecularWeight: 348.42484

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CN=CC=C4

InChI

InChI=1S/C18H16N6S/c1-2-10-24-17(13-6-5-9-19-11-13)22-23-18(24)25-12-16-20-14-7-3-4-8-15(14)21-16/h2-9,11H,1,10,12H2,(H,20,21)