methyl N-cyano-N'-[[4-(2-hydroxyethyl)phenyl]methyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[[4-(2-hydroxyethyl)phenyl]methyl]carbamimidothioate Openeye Name: 1-cyano-3-[[4-(2-hydroxyethyl)phenyl]methyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[[4-(2-hydroxyethyl)phenyl]methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[[4-(2-hydroxyethyl)phenyl]methyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-(2-hydroxyethyl)benzyl]-2-methyl-isothiourea Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=C(C=C1)CCO)NC#N

Isomeric SMILES

CSC(=NCC1=CC=C(C=C1)CCO)NC#N

InChI

InChI=1S/C12H15N3OS/c1-17-12(15-9-13)14-8-11-4-2-10(3-5-11)6-7-16/h2-5,16H,6-8H2,1H3,(H,14,15)