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methyl N-cyano-N'-[2-(1H-indol-2-ylmethylsulfanyl)ethyl]carbamimidothioate

methyl N-cyano-N'-[2-(1H-indol-2-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name:methyl N-cyano-N'-[2-(1H-indol-2-ylmethylsulfanyl)ethyl]carbamimidothioate
Openeye Name:1-cyano-3-[2-(1H-indol-2-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea
CAS Name:N-cyano-N'-[2-(1H-indol-2-ylmethylthio)ethyl]carbamimidothioic acid methyl ester
IUPAC Name:methyl N-cyano-N'-[2-(1H-indol-2-ylmethylsulfanyl)ethyl]carbamimidothioate
Traditional Name:1-cyano-3-[2-(1H-indol-2-ylmethylthio)ethyl]-2-methyl-isothiourea
Formula: C14H16N4S2
MolecularWeight: 304.43364
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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CC2=CC=CC=C2N1)NC#N


Isomeric SMILES

CSC(=NCCSCC1=CC2=CC=CC=C2N1)NC#N


InChI

InChI=1S/C14H16N4S2/c1-19-14(17-10-15)16-6-7-20-9-12-8-11-4-2-3-5-13(11)18-12/h2-5,8,18H,6-7,9H2,1H3,(H,16,17)


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