methyl N-cyano-N'-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)isothiourea CAS Name: N-cyano-N'-(1,3,5-trimethyl-4-pyrazolyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)isothiourea Formula: C9H13N5S MolecularWeight: 223.29802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N=C(NC#N)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)N=C(NC#N)SC

InChI

InChI=1S/C9H13N5S/c1-6-8(7(2)14(3)13-6)12-9(15-4)11-5-10/h1-4H3,(H,11,12)