[1-[2-(2-chloranylethanoylamino)phenyl]pyrrol-2-yl] thiocyanate

Systemtic Name: [1-[2-(2-chloranylethanoylamino)phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-[(2-chloroacetyl)amino]phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[(2-chloro-1-oxoethyl)amino]phenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-[(2-chloroacetyl)amino]phenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[(2-chloroacetyl)amino]phenyl]pyrrol-2-yl] ester Formula: C13H10ClN3OS MolecularWeight: 291.756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCl)N2C=CC=C2SC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCl)N2C=CC=C2SC#N

InChI

InChI=1S/C13H10ClN3OS/c14-8-12(18)16-10-4-1-2-5-11(10)17-7-3-6-13(17)19-9-15/h1-7H,8H2,(H,16,18)