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

Systemtic Name: 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]benzamide CAS Name: N-[[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 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]benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-2-13-25-19(14-22-20(27)17-11-7-4-8-12-17)23-24-21(25)28-15-18(26)16-9-5-3-6-10-16/h2-12H,1,13-15H2,(H,22,27)