N-(2-chlorophenyl)-2-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethanamide Openeye Name: 2-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N-(2-chlorophenyl)acetamide CAS Name: N-(2-chlorophenyl)-2-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)acetamide Traditional Name: 2-[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-N-(2-chlorophenyl)acetamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-2-12-26-19(13-20(28)23-17-11-7-6-10-16(17)22)24-25-21(26)29-14-18(27)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,28)