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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

InChI

InChI=1S/C23H22ClN5S/c24-17-8-11-20-19(12-17)25-21(28(20)13-15-4-2-1-3-5-15)14-30-23-27-26-22(16-6-7-16)29(23)18-9-10-18/h1-5,8,11-12,16,18H,6-7,9-10,13-14H2