methyl N-cyano-N'-[2-(1-methylpyrrol-2-yl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(1-methylpyrrol-2-yl)ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-(1-methylpyrrol-2-yl)ethyl]isothiourea CAS Name: N-cyano-N'-[2-(1-methyl-2-pyrrolyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1-methylpyrrol-2-yl)ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-(1-methylpyrrol-2-yl)ethyl]isothiourea Formula: C10H14N4S MolecularWeight: 222.30996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CCN=C(NC#N)SC

Isomeric SMILES

CN1C=CC=C1CCN=C(NC#N)SC

InChI

InChI=1S/C10H14N4S/c1-14-7-3-4-9(14)5-6-12-10(15-2)13-8-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)