S-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)] N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioate

Systemtic Name: S-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)] N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioate Openeye Name: S-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)] N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioate CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamothioic acid S-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)] ester IUPAC Name: S-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)] N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioate Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamic acid S-[(5-keto-4-phenyl-1H-1,2,4-triazol-3-yl)] ester Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)SC3=NNC(=O)N3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)SC3=NNC(=O)N3C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3S/c1-13-16(17(27)26(24(13)2)15-11-7-4-8-12-15)21-20(29)30-19-23-22-18(28)25(19)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,21,29)(H,22,28)