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

Systemtic Name: N-(4-ethanoylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-4-18(20(27)22-17-12-10-15(11-13-17)14(2)26)28-21-24-23-19(25(21)3)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,22,27)