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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-butanamide Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-butanamide CAS Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylbutanamide IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylbutanamide Traditional Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-butyramide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-15(2)23-19(27)9-6-14-28-21-25-24-20(16-10-12-17(22)13-11-16)26(21)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,27)