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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(3-chlorophenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(3-chlorophenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-chlorobenzyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H19ClN4OS MolecularWeight: 386.89836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN4OS/c1-13-17(18(25)24(23(13)2)16-9-4-3-5-10-16)22-19(26)21-12-14-7-6-8-15(20)11-14/h3-11H,12H2,1-2H3,(H2,21,22,26)