1-acetamido-1-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]thiourea

Systemtic Name: 1-acetamido-1-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]thiourea Openeye Name: 1-acetamido-1-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]thiourea CAS Name: 1-acetamido-1-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]thiourea IUPAC Name: 1-acetamido-1-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]thiourea Traditional Name: 1-acetamido-1-[(E)-2-cyano-2-tosyl-vinyl]thiourea Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S2/c1-9-3-5-11(6-4-9)22(19,20)12(7-14)8-17(13(15)21)16-10(2)18/h3-6,8H,1-2H3,(H2,15,21)(H,16,18)/b12-8+