N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCCOC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-15-9-10-17(13-16(15)2)22-20(26)14-19-23-24-21(25(19)3)28-12-11-27-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)