[5-[oxidanyl(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: [5-[oxidanyl(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-anilino-2-oxo-propanimidothioate CAS Name: (1E)-N-anilino-2-oxopropanimidothioic acid [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-anilino-2-oxopropanimidothioate Traditional Name: (1E)-N-anilino-2-keto-thiopropionimidic acid [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O

InChI

InChI=1S/C24H21N5O2S/c1-17(30)23(27-25-19-13-7-3-8-14-19)32-24-28-26-22(21(31)18-11-5-2-6-12-18)29(24)20-15-9-4-10-16-20/h2-16,21,25,31H,1H3/b27-23+