(1Z)-1-[1-azanyl-3-(pyridin-2-ylmethylsulfanyl)propylidene]-3-methyl-thiourea dihydrochloride

Systemtic Name: (1Z)-1-[1-azanyl-3-(pyridin-2-ylmethylsulfanyl)propylidene]-3-methyl-thiourea dihydrochloride Openeye Name: (1Z)-1-[1-amino-3-(2-pyridylmethylsulfanyl)propylidene]-3-methyl-thiourea dihydrochloride CAS Name: (1Z)-1-[1-amino-3-(2-pyridinylmethylthio)propylidene]-3-methylthiourea dihydrochloride IUPAC Name: (1Z)-1-[1-amino-3-(pyridin-2-ylmethylsulfanyl)propylidene]-3-methylthiourea dihydrochloride Traditional Name: (1Z)-1-[1-amino-3-(2-pyridylmethylthio)propylidene]-3-methyl-thiourea dihydrochloride Formula: C11H18Cl2N4S2 MolecularWeight: 341.32342

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N=C(CCSCC1=CC=CC=N1)N.Cl.Cl

Isomeric SMILES

CNC(=S)/N=C(/CCSCC1=CC=CC=N1)\N.Cl.Cl

InChI

InChI=1S/C11H16N4S2.2ClH/c1-13-11(16)15-10(12)5-7-17-8-9-4-2-3-6-14-9;;/h2-4,6H,5,7-8H2,1H3,(H3,12,13,15,16);2*1H