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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

InChI

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