methyl N-azanyl-N'-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-azanyl-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-amino-2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N-amino-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-amino-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-amino-2-methyl-3-tosyl-isothiourea Formula: C9H13N3O2S2 MolecularWeight: 259.34842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NN)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NN)SC

InChI

InChI=1S/C9H13N3O2S2/c1-7-3-5-8(6-4-7)16(13,14)12-9(11-10)15-2/h3-6H,10H2,1-2H3,(H,11,12)