[4-(2-sulfanylethyl)phenyl]methyl thiocyanate

Systemtic Name: [4-(2-sulfanylethyl)phenyl]methyl thiocyanate Openeye Name: [4-(2-sulfanylethyl)phenyl]methyl thiocyanate CAS Name: thiocyanic acid [4-(2-mercaptoethyl)phenyl]methyl ester IUPAC Name: [4-(2-sulfanylethyl)phenyl]methyl thiocyanate Traditional Name: thiocyanic acid [4-(2-mercaptoethyl)benzyl] ester Formula: C10H11NS2 MolecularWeight: 209.33104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCS)CSC#N

Isomeric SMILES

C1=CC(=CC=C1CCS)CSC#N

InChI

InChI=1S/C10H11NS2/c11-8-13-7-10-3-1-9(2-4-10)5-6-12/h1-4,12H,5-7H2