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

Systemtic Name: N-[2-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(3,4-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3,4-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C)C

InChI

InChI=1S/C22H24N4O2S/c1-15-9-10-19(13-16(15)2)26-21(11-12-23-17(3)27)24-25-22(26)29-14-20(28)18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,27)