2-(4-methylphenyl)sulfonylethyl N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: 2-(4-methylphenyl)sulfonylethyl N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-cyano-2-[2-(p-tolylsulfonyl)ethyl]isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid 2-(4-methylphenyl)sulfonylethyl ester IUPAC Name: 2-(4-methylphenyl)sulfonylethyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-cyano-2-(2-tosylethyl)isothiourea Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S2/c1-3-8-16-14(17-11-15)20-9-10-21(18,19)13-6-4-12(2)5-7-13/h3-7H,1,8-10H2,2H3,(H,16,17)