[5-[[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]-phenyl-methyl]-1H-pyrrol-2-yl] thiocyanate

Systemtic Name: [5-[[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]-phenyl-methyl]-1H-pyrrol-2-yl] thiocyanate Openeye Name: [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-phenyl-methyl]-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [5-[[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]-phenylmethyl]-1H-pyrrol-2-yl] ester IUPAC Name: [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-phenylmethyl]-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [5-[phenyl-(5-p-toluoyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl] ester Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C3=CC=CC=C3)C4=CC=C(N4)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C3=CC=CC=C3)C4=CC=C(N4)SC#N

InChI

InChI=1S/C24H19N3OS/c1-16-7-9-18(10-8-16)24(28)21-12-11-19(26-21)23(17-5-3-2-4-6-17)20-13-14-22(27-20)29-15-25/h2-14,23,26-27H,1H3