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

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole CAS Name: 5-chloro-1-(phenylmethyl)-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole Formula: C20H20ClN5S MolecularWeight: 397.9243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClN5S/c1-14(2)26-13-22-24-20(26)27-12-19-23-17-10-16(21)8-9-18(17)25(19)11-15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3