1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(E)-C-phenyl-N-tosyl-carbonimidoyl]thiourea Formula: C26H25N5O3S2 MolecularWeight: 519.6384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H25N5O3S2/c1-18-14-16-22(17-15-18)36(33,34)29-24(20-10-6-4-7-11-20)28-26(35)27-23-19(2)30(3)31(25(23)32)21-12-8-5-9-13-21/h4-17H,1-3H3,(H2,27,28,29,35)