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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

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