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

Systemtic Name: 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(1-benzyl-5-chlorobenzimidazol-2-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C20H18ClN5OS/c21-14-6-9-17-16(10-14)22-18(25(17)11-13-4-2-1-3-5-13)12-28-20-24-23-19(27)26(20)15-7-8-15/h1-6,9-10,15H,7-8,11-12H2,(H,23,27)