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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H24N4OS/c1-5-18(20(26)22-17-9-7-6-8-10-17)27-21-24-23-19(25(21)4)16-12-11-14(2)15(3)13-16/h6-13,18H,5H2,1-4H3,(H,22,26)