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

Systemtic Name: 5-chloranyl-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole CAS Name: 5-chloro-2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5S/c1-2-27-21(16-8-9-16)25-26-22(27)29-14-20-24-18-12-17(23)10-11-19(18)28(20)13-15-6-4-3-5-7-15/h3-7,10-12,16H,2,8-9,13-14H2,1H3