N-(3,4-dimethylphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-14-9-10-17(11-15(14)2)22-20(27)12-19-23-24-21(25(19)3)28-13-18(26)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,22,27)