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

Systemtic Name: 3,4-bis(chloranyl)-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]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dichloro-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]-3,4-dichloro-benzamide Formula: C21H18Cl2N4O2S MolecularWeight: 461.36422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N4O2S/c1-2-10-27-19(12-24-20(29)15-8-9-16(22)17(23)11-15)25-26-21(27)30-13-18(28)14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2,(H,24,29)