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

Systemtic Name: 2-[[4-[[3-ethylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(3-benzyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[3-(ethylthio)-5-(phenylmethyl)-1,2,4-triazol-4-yl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(3-benzyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[3-benzyl-5-(ethylthio)-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-2-34-26-29-28-23(16-18-8-4-3-5-9-18)30(26)17-19-12-14-20(15-13-19)27-24(31)21-10-6-7-11-22(21)25(32)33/h3-15H,2,16-17H2,1H3,(H,27,31)(H,32,33)