[(E)-2-ethylsulfonylethenyl] carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: [(E)-2-ethylsulfonylethenyl] carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-2-ethylsulfonylvinyl]isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid [(E)-2-ethylsulfonylethenyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [(E)-2-ethylsulfonylethenyl] carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-2-esylvinyl]isothiourea; tosylic acid Formula: C12H18N2O5S3 MolecularWeight: 366.47672

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C=CSC(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCS(=O)(=O)/C=C/SC(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H10N2O2S2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-11(8,9)4-3-10-5(6)7/h2-5H,1H3,(H,8,9,10);3-4H,2H2,1H3,(H3,6,7)/b;4-3+