[1-[2-(3-chloranylpropanoylamino)phenyl]pyrrol-2-yl] thiocyanate

Systemtic Name: [1-[2-(3-chloranylpropanoylamino)phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-(3-chloropropanoylamino)phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[(3-chloro-1-oxopropyl)amino]phenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-(3-chloropropanoylamino)phenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-(3-chloropropanoylamino)phenyl]pyrrol-2-yl] ester Formula: C14H12ClN3OS MolecularWeight: 305.78258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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