2-(4-methylphenyl)sulfonylethyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: 2-(4-methylphenyl)sulfonylethyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-3-phenyl-2-[2-(p-tolylsulfonyl)ethyl]isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid 2-(4-methylphenyl)sulfonylethyl ester IUPAC Name: 2-(4-methylphenyl)sulfonylethyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-3-phenyl-2-(2-tosylethyl)isothiourea Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2/c1-14-7-9-16(10-8-14)24(21,22)12-11-23-17(19-13-18)20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,20)