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

Systemtic Name: N-cyclohexyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-cyclohexyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-cyclohexyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-cyclohexyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-cyclohexyl-5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C25H28Cl2N4OS MolecularWeight: 503.48702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H28Cl2N4OS/c26-21-15-14-20(17-22(21)27)31-24(18-9-3-1-4-10-18)29-30-25(31)33-16-8-7-13-23(32)28-19-11-5-2-6-12-19/h1,3-4,9-10,14-15,17,19H,2,5-8,11-13,16H2,(H,28,32)