[1,3-bis(4-bromophenyl)-1-oxidanylidene-3-phenylazanyl-propan-2-yl] thiocyanate

Systemtic Name: [1,3-bis(4-bromophenyl)-1-oxidanylidene-3-phenylazanyl-propan-2-yl] thiocyanate Openeye Name: [1-[anilino-(4-bromophenyl)methyl]-2-(4-bromophenyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [1-anilino-1,3-bis(4-bromophenyl)-3-oxopropan-2-yl] ester IUPAC Name: [1-anilino-1,3-bis(4-bromophenyl)-3-oxopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[anilino-(4-bromophenyl)methyl]-2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H16Br2N2OS MolecularWeight: 516.24824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C2=CC=C(C=C2)Br)C(C(=O)C3=CC=C(C=C3)Br)SC#N

Isomeric SMILES

C1=CC=C(C=C1)NC(C2=CC=C(C=C2)Br)C(C(=O)C3=CC=C(C=C3)Br)SC#N

InChI

InChI=1S/C22H16Br2N2OS/c23-17-10-6-15(7-11-17)20(26-19-4-2-1-3-5-19)22(28-14-25)21(27)16-8-12-18(24)13-9-16/h1-13,20,22,26H