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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-sulfamoylphenyl)methyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-sulfamoylphenyl)methyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-sulfamoylphenyl)methyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-sulfamoylphenyl)methyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-sulfamoylbenzyl)thiourea Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H21N5O3S2/c1-13-17(18(25)24(23(13)2)15-6-4-3-5-7-15)22-19(28)21-12-14-8-10-16(11-9-14)29(20,26)27/h3-11H,12H2,1-2H3,(H2,20,26,27)(H2,21,22,28)