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

Systemtic Name: 5-chloranyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole CAS Name: 5-chloro-2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C1CC1N2C=NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C20H18ClN5S/c21-15-6-9-18-17(10-15)23-19(25(18)11-14-4-2-1-3-5-14)12-27-20-24-22-13-26(20)16-7-8-16/h1-6,9-10,13,16H,7-8,11-12H2