1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[2-cyano-2-(p-tolylsulfonyl)vinyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-(2-cyano-2-tosyl-vinyl)-3-(4-sulfamoylphenyl)thiourea Formula: C17H16N4O4S3 MolecularWeight: 436.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C#N

InChI

InChI=1S/C17H16N4O4S3/c1-12-2-6-14(7-3-12)27(22,23)16(10-18)11-20-17(26)21-13-4-8-15(9-5-13)28(19,24)25/h2-9,11H,1H3,(H2,19,24,25)(H2,20,21,26)