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

Systemtic Name: 3,4,5-triethoxy-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O5S/c1-4-37-25-17-22(18-26(38-5-2)28(25)39-6-3)29(36)31-19-27-32-33-30(34(27)23-15-11-8-12-16-23)40-20-24(35)21-13-9-7-10-14-21/h7-18H,4-6,19-20H2,1-3H3,(H,31,36)