[4-(2-cyanoethanoylamino)phenyl] thiocyanate

Systemtic Name: [4-(2-cyanoethanoylamino)phenyl] thiocyanate Openeye Name: [4-[(2-cyanoacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(2-cyano-1-oxoethyl)amino]phenyl] ester IUPAC Name: [4-[(2-cyanoacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-cyanoacetyl)amino]phenyl] ester Formula: C10H7N3OS MolecularWeight: 217.24708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC#N)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CC#N)SC#N

InChI

InChI=1S/C10H7N3OS/c11-6-5-10(14)13-8-1-3-9(4-2-8)15-7-12/h1-4H,5H2,(H,13,14)