2-[4-[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-propyl-5-thioxo-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-propyl-5-thioxo-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=S)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NC(=S)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H19N3O2S/c1-2-5-17-20-19(25)21-22(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)18(23)24/h3-4,6-11H,2,5,12H2,1H3,(H,21,25)(H,23,24)