2-[[4-[(3-ethylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(3-ethylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(3-ethylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[3-(ethylthio)-5-phenyl-1,2,4-triazol-4-yl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(3-ethylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[3-(ethylthio)-5-phenyl-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-2-33-25-28-27-22(18-8-4-3-5-9-18)29(25)16-17-12-14-19(15-13-17)26-23(30)20-10-6-7-11-21(20)24(31)32/h3-15H,2,16H2,1H3,(H,26,30)(H,31,32)