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

Systemtic Name: N-[3-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3,4-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3,4-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3,4-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-16-11-12-20(14-17(16)2)27-22(10-7-13-24-18(3)28)25-26-23(27)30-15-21(29)19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,24,28)