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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-16-20(21(28)27(25(16)2)18-8-4-3-5-9-18)24-22(31)23-17-10-12-19(13-11-17)32(29,30)26-14-6-7-15-26/h3-5,8-13H,6-7,14-15H2,1-2H3,(H2,23,24,31)