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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

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