1-[2-(4-chlorophenyl)ethyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[2-(4-chlorophenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-14-18(19(26)25(24(14)2)17-6-4-3-5-7-17)23-20(27)22-13-12-15-8-10-16(21)11-9-15/h3-11H,12-13H2,1-2H3,(H2,22,23,27)