1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(E)-[(3R)-3-methylcyclohexylidene]amino]thiourea Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C1

Isomeric SMILES

C[C@@H]1CCC/C(=N\NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)/C1

InChI

InChI=1S/C19H25N5OS/c1-13-8-7-9-15(12-13)21-22-19(26)20-17-14(2)23(3)24(18(17)25)16-10-5-4-6-11-16/h4-6,10-11,13H,7-9,12H2,1-3H3,(H2,20,22,26)/b21-15+/t13-/m1/s1