1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-phenyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-phenyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-phenyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-phenylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-phenylthiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-phenyl-thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-16-19(20(27)26(24(16)2)18-12-7-4-8-13-18)23-21(28)25(15-9-14-22)17-10-5-3-6-11-17/h3-8,10-13H,9,15H2,1-2H3,(H,23,28)