methanol; 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl]benzoic acid

Systemtic Name: methanol; 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl]benzoic acid Openeye Name: methanol; 4-[6-(p-tolyl)-2-thioxo-1,4-dihydro-1,3,5-triazin-3-yl]benzoic acid CAS Name: methanol; 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl]benzoic acid IUPAC Name: methanol; 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl]benzoic acid Traditional Name: methanol; 4-[6-(p-tolyl)-2-thioxo-1,4-dihydro-s-triazin-3-yl]benzoic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NCN(C(=S)N2)C3=CC=C(C=C3)C(=O)O.CO

Isomeric SMILES

CC1=CC=C(C=C1)C2=NCN(C(=S)N2)C3=CC=C(C=C3)C(=O)O.CO

InChI

InChI=1S/C17H15N3O2S.CH4O/c1-11-2-4-12(5-3-11)15-18-10-20(17(23)19-15)14-8-6-13(7-9-14)16(21)22;1-2/h2-9H,10H2,1H3,(H,21,22)(H,18,19,23);2H,1H3