methyl (NZ)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-carbamimidothioate hydroiodide

Systemtic Name: methyl (NZ)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-carbamimidothioate hydroiodide Openeye Name: (1Z)-2-methyl-1-(1-methylpyrrolidin-2-ylidene)-3-phenyl-isothiourea hydroiodide CAS Name: (NZ)-N-(1-methyl-2-pyrrolidinylidene)-N'-phenylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl (NZ)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylcarbamimidothioate hydroiodide Traditional Name: (1Z)-2-methyl-1-(1-methylpyrrolidin-2-ylidene)-3-phenyl-isothiourea hydroiodide Formula: C13H18IN3S MolecularWeight: 375.27159

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NC(=NC2=CC=CC=C2)SC.I

Isomeric SMILES

CN\1CCC/C1=N/C(=NC2=CC=CC=C2)SC.I

InChI

InChI=1S/C13H17N3S.HI/c1-16-10-6-9-12(16)15-13(17-2)14-11-7-4-3-5-8-11;/h3-5,7-8H,6,9-10H2,1-2H3;1H/b14-13?,15-12-;