N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-furancarboxamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-furamide Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=COC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=COC=C4

InChI

InChI=1S/C23H22N4O3S/c1-29-20-9-5-8-19(14-20)27-21(15-24-22(28)18-10-12-30-16-18)25-26-23(27)31-13-11-17-6-3-2-4-7-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,24,28)