(2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate

Systemtic Name: (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate Openeye Name: (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate CAS Name: thiocyanic acid (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) ester IUPAC Name: (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate Traditional Name: thiocyanic acid (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) ester Formula: C18H11N3S2 MolecularWeight: 333.43004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)SC#N)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)SC#N)SC#N

InChI

InChI=1S/C18H11N3S2/c19-11-22-17-15(13-7-3-1-4-8-13)21-16(18(17)23-12-20)14-9-5-2-6-10-14/h1-10,21H