[4-(2-cyclopentylsulfanylethanoylamino)-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-(2-cyclopentylsulfanylethanoylamino)-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(2-cyclopentylsulfanylacetyl)amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(cyclopentylthio)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(2-cyclopentylsulfanylacetyl)amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(cyclopentylthio)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2CCCC2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2CCCC2)C)SC#N

InChI

InChI=1S/C16H20N2OS2/c1-11-7-14(21-10-17)8-12(2)16(11)18-15(19)9-20-13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3,(H,18,19)