3-(4-nitrophenyl)-2-quinolin-8-ylsulfanyl-propanenitrile

Systemtic Name: 3-(4-nitrophenyl)-2-quinolin-8-ylsulfanyl-propanenitrile Openeye Name: 3-(4-nitrophenyl)-2-(8-quinolylsulfanyl)propanenitrile CAS Name: 3-(4-nitrophenyl)-2-(8-quinolinylthio)propanenitrile IUPAC Name: 3-(4-nitrophenyl)-2-quinolin-8-ylsulfanylpropanenitrile Traditional Name: 3-(4-nitrophenyl)-2-(8-quinolylthio)propionitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC(CC3=CC=C(C=C3)[N+](=O)[O-])C#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC(CC3=CC=C(C=C3)[N+](=O)[O-])C#N)N=CC=C2

InChI

InChI=1S/C18H13N3O2S/c19-12-16(11-13-6-8-15(9-7-13)21(22)23)24-17-5-1-3-14-4-2-10-20-18(14)17/h1-10,16H,11H2