2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]acetonitrile IUPAC Name: 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]acetonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SCC#N)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SCC#N)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c18-8-9-24-17-16(19-14-6-1-2-7-15(14)20-17)11-12-4-3-5-13(10-12)21(22)23/h1-7,10H,9,11H2