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

Systemtic Name: [1-[[2-(2-chloranylethanoylamino)phenyl]methyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[[2-[(2-chloroacetyl)amino]phenyl]methyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[[2-[(2-chloro-1-oxoethyl)amino]phenyl]methyl]-2-pyrrolyl] ester IUPAC Name: [1-[[2-[(2-chloroacetyl)amino]phenyl]methyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[(2-chloroacetyl)amino]benzyl]pyrrol-2-yl] ester Formula: C14H12ClN3OS MolecularWeight: 305.78258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC=C2SC#N)NC(=O)CCl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC=C2SC#N)NC(=O)CCl

InChI

InChI=1S/C14H12ClN3OS/c15-8-13(19)17-12-5-2-1-4-11(12)9-18-7-3-6-14(18)20-10-16/h1-7H,8-9H2,(H,17,19)