N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=COCCO3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=COCCO3

InChI

InChI=1S/C17H18N4O4S/c1-11-14(16(23)21(20(11)2)12-6-4-3-5-7-12)18-17(26)19-15(22)13-10-24-8-9-25-13/h3-7,10H,8-9H2,1-2H3,(H2,18,19,22,26)