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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C19H16ClN5S MolecularWeight: 381.88184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5S/c1-2-11-25-18(13-7-9-14(20)10-8-13)23-24-19(25)26-12-17-21-15-5-3-4-6-16(15)22-17/h2-10H,1,11-12H2,(H,21,22)