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

Systemtic Name: 3-[[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Openeye Name: 3-[[3-[(4-methoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid CAS Name: 3-[[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid IUPAC Name: 3-[[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Traditional Name: 3-[(3-p-anisyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-24-15-7-5-12(6-8-15)10-16-19-20-18(25)21(16)11-13-3-2-4-14(9-13)17(22)23/h2-9H,10-11H2,1H3,(H,20,25)(H,22,23)