methyl N-cyano-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-cyano-N'-phenethyl-carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-phenethyl-isothiourea CAS Name: N-cyano-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-phenethylcarbamimidothioate Traditional Name: 1-cyano-2-methyl-3-phenethyl-isothiourea Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1)NC#N

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1)NC#N

InChI

InChI=1S/C11H13N3S/c1-15-11(14-9-12)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)