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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

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