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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

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