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

Systemtic Name: 3-methyl-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]-3-methyl-benzamide CAS Name: 3-methyl-N-[1-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3-methyl-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]-3-methyl-benzamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O2S/c1-4-13-27-21(17(3)24-22(29)19-12-8-9-16(2)14-19)25-26-23(27)30-15-20(28)18-10-6-5-7-11-18/h4-12,14,17H,1,13,15H2,2-3H3,(H,24,29)