3-azanyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 3-azanyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-phenyl-pyrazole-4-carbothioamide Openeye Name: 3-amino-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-phenyl-pyrazole-4-carbothioamide CAS Name: 3-amino-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-phenyl-4-pyrazolecarbothioamide IUPAC Name: 3-amino-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-phenylpyrazole-4-carbothioamide Traditional Name: 3-amino-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-phenyl-pyrazole-4-carbothioamide Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=NN3C4=CC=CC=C4)N)C(=S)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=NN3C4=CC=CC=C4)N)C(=S)N

InChI

InChI=1S/C21H21N7OS/c1-13-17(21(29)28(26(13)2)15-11-7-4-8-12-15)24-20-16(19(23)30)18(22)25-27(20)14-9-5-3-6-10-14/h3-12,24H,1-2H3,(H2,22,25)(H2,23,30)