[1-(2-benzamidophenyl)pyrrol-2-yl] thiocyanate

Systemtic Name: [1-(2-benzamidophenyl)pyrrol-2-yl] thiocyanate Openeye Name: [1-(2-benzamidophenyl)pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-(2-benzamidophenyl)-2-pyrrolyl] ester IUPAC Name: [1-(2-benzamidophenyl)pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-(2-benzamidophenyl)pyrrol-2-yl] ester Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3C=CC=C3SC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3C=CC=C3SC#N

InChI

InChI=1S/C18H13N3OS/c19-13-23-17-11-6-12-21(17)16-10-5-4-9-15(16)20-18(22)14-7-2-1-3-8-14/h1-12H,(H,20,22)