[4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl] thiocyanate

Systemtic Name: [4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl] thiocyanate Openeye Name: [4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)phenyl] ester IUPAC Name: [4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl] ester Formula: C18H10N6S MolecularWeight: 342.3772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)SC#N)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)SC#N)N)C#N

InChI

InChI=1S/C18H10N6S/c19-9-13-16-18(23-15-4-2-1-3-14(15)22-16)24(17(13)21)11-5-7-12(8-6-11)25-10-20/h1-8H,21H2