2-[(3-methylsulfanylphenyl)amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-methylsulfanylanilino)-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[3-(methylthio)anilino]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-(3-methylsulfanylanilino)-6-nitroquinoline-3-carbonitrile Traditional Name: 2-[3-(methylthio)anilino]-6-nitro-quinoline-3-carbonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C=C2C#N

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C=C2C#N

InChI

InChI=1S/C17H12N4O2S/c1-24-15-4-2-3-13(9-15)19-17-12(10-18)7-11-8-14(21(22)23)5-6-16(11)20-17/h2-9H,1H3,(H,19,20)