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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole Formula: C19H17N5S MolecularWeight: 347.43678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5S/c1-2-12-24-18(14-8-4-3-5-9-14)22-23-19(24)25-13-17-20-15-10-6-7-11-16(15)21-17/h2-11H,1,12-13H2,(H,20,21)