3-[1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[1-[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]ethylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=NNC(=O)N4C5CC5

Isomeric SMILES

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=NNC(=O)N4C5CC5

InChI

InChI=1S/C21H20ClN5OS/c1-13(29-21-25-24-20(28)27(21)16-8-9-16)19-23-17-11-15(22)7-10-18(17)26(19)12-14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,24,28)