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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-butanamide Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-butanamide CAS Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylbutanamide IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylbutanamide Traditional Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-butyramide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-16-10-8-15(9-11-16)20-24-25-21(26(20)18-5-2-1-3-6-18)28-14-4-7-19(27)23-17-12-13-17/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,23,27)