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

Systemtic Name: N-[1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: N-[1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: N-[1-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S/c1-3-14-26-20(16(2)23-21(28)18-12-8-5-9-13-18)24-25-22(26)29-15-19(27)17-10-6-4-7-11-17/h3-13,16H,1,14-15H2,2H3,(H,23,28)