[4-(2-chloranylethanoylamino)-3-ethyl-5-methyl-phenyl] thiocyanate

Systemtic Name: [4-(2-chloranylethanoylamino)-3-ethyl-5-methyl-phenyl] thiocyanate Openeye Name: [4-[(2-chloroacetyl)amino]-3-ethyl-5-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3-ethyl-5-methylphenyl] ester IUPAC Name: [4-[(2-chloroacetyl)amino]-3-ethyl-5-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-chloroacetyl)amino]-3-ethyl-5-methyl-phenyl] ester Formula: C12H13ClN2OS MolecularWeight: 268.76242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CCl

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CCl

InChI

InChI=1S/C12H13ClN2OS/c1-3-9-5-10(17-7-14)4-8(2)12(9)15-11(16)6-13/h4-5H,3,6H2,1-2H3,(H,15,16)