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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-phenylsulfanylphenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-phenylsulfanylphenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(phenylthio)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-phenylsulfanylphenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[2-(phenylthio)phenyl]thiourea Formula: C24H22N4OS2 MolecularWeight: 446.58768

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4OS2/c1-17-22(23(29)28(27(17)2)18-11-5-3-6-12-18)26-24(30)25-20-15-9-10-16-21(20)31-19-13-7-4-8-14-19/h3-16H,1-2H3,(H2,25,26,30)