S-[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl] benzenecarbothioate

Systemtic Name: S-[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl] benzenecarbothioate Openeye Name: S-[5-(1-benzyl-2-oxo-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-methyl-5-[2-oxo-1-(phenylmethyl)-3-pyridinyl]-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(1-benzyl-2-oxopyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-(1-benzyl-2-keto-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl] ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(=O)C2=CC=CC=C2)C3=CC=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC(=O)C2=CC=CC=C2)C3=CC=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-25-19(23-24-22(25)29-21(28)17-11-6-3-7-12-17)18-13-8-14-26(20(18)27)15-16-9-4-2-5-10-16/h2-14H,15H2,1H3