5-chloranyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzyl-5-chloro-benzimidazole CAS Name: 5-chloro-2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzyl-5-chloro-benzimidazole Formula: C23H22ClN5S MolecularWeight: 435.97228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C5CC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C5CC5

InChI

InChI=1S/C23H22ClN5S/c1-2-12-28-22(17-8-9-17)26-27-23(28)30-15-21-25-19-13-18(24)10-11-20(19)29(21)14-16-6-4-3-5-7-16/h2-7,10-11,13,17H,1,8-9,12,14-15H2