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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C24H21ClN4OS2 MolecularWeight: 481.03274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN4OS2/c1-16-22(23(30)29(28(16)2)18-8-4-3-5-9-18)27-24(31)26-20-10-6-7-11-21(20)32-19-14-12-17(25)13-15-19/h3-15H,1-2H3,(H2,26,27,31)