N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furoyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H23N5O3S/c1-15-18(20(28)26(23(15)2)16-7-4-3-5-8-16)22-21(30)25-12-10-24(11-13-25)19(27)17-9-6-14-29-17/h3-9,14H,10-13H2,1-2H3,(H,22,30)