N-[[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[5-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[[5-[[2-keto-2-(p-phenetidino)ethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H26FN5O4S MolecularWeight: 535.589843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H26FN5O4S/c1-3-37-21-13-11-20(12-14-21)30-25(34)17-38-27-32-31-24(33(27)22-9-4-5-10-23(22)36-2)16-29-26(35)18-7-6-8-19(28)15-18/h4-15H,3,16-17H2,1-2H3,(H,29,35)(H,30,34)