N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c1-15-19(20(26)25(23(15)2)17-11-4-3-5-12-17)22-21(27)24-14-8-10-16-9-6-7-13-18(16)24/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,22,27)