N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide

Systemtic Name: N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-cyclopropyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C22H22Cl2N4OS MolecularWeight: 461.40728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22Cl2N4OS/c23-18-12-11-17(14-19(18)24)28-21(15-6-2-1-3-7-15)26-27-22(28)30-13-5-4-8-20(29)25-16-9-10-16/h1-3,6-7,11-12,14,16H,4-5,8-10,13H2,(H,25,29)