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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[3-(methylthio)phenyl]thiourea Formula: C19H20N4OS2 MolecularWeight: 384.5183

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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=C3)SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H20N4OS2/c1-13-17(18(24)23(22(13)2)15-9-5-4-6-10-15)21-19(25)20-14-8-7-11-16(12-14)26-3/h4-12H,1-3H3,(H2,20,21,25)