1-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(p-tolylsulfonyl)urea CAS Name: 1-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-tosyl-urea Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H17N5O3S2/c1-13-7-9-15(10-8-13)29(26,27)24-19(25)21-17-16(11-20)18(23-22-17)28-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3,(H3,21,22,23,24,25)