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

Systemtic Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-3-12-26-20(14-21(28)23-17-10-7-11-18(13-17)29-2)24-25-22(26)30-15-19(27)16-8-5-4-6-9-16/h3-11,13H,1,12,14-15H2,2H3,(H,23,28)