1,1-bis(cyanomethyl)-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1,1-bis(cyanomethyl)-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1,1-bis(cyanomethyl)-3-(p-tolylsulfonyl)urea CAS Name: 1,1-bis(cyanomethyl)-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1,1-bis(cyanomethyl)-3-(4-methylphenyl)sulfonylurea Traditional Name: 1,1-bis(cyanomethyl)-3-tosyl-urea Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC#N)CC#N

InChI

InChI=1S/C12H12N4O3S/c1-10-2-4-11(5-3-10)20(18,19)15-12(17)16(8-6-13)9-7-14/h2-5H,8-9H2,1H3,(H,15,17)