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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(2-thiazolylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea Formula: C21H20N6O3S3 MolecularWeight: 500.6169

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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)NC4=NC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C21H20N6O3S3/c1-14-18(19(28)27(26(14)2)16-6-4-3-5-7-16)24-20(31)23-15-8-10-17(11-9-15)33(29,30)25-21-22-12-13-32-21/h3-13H,1-2H3,(H,22,25)(H2,23,24,31)