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

Systemtic Name: 1-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-(phenylsulfonyl)urea Openeye Name: 1-(benzenesulfonyl)-3-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)urea CAS Name: 1-(benzenesulfonyl)-3-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]urea IUPAC Name: 1-(benzenesulfonyl)-3-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)urea Traditional Name: 1-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-besyl-urea Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O3S2/c19-11-15-16(21-22-17(15)27-12-13-7-3-1-4-8-13)20-18(24)23-28(25,26)14-9-5-2-6-10-14/h1-10H,12H2,(H3,20,21,22,23,24)