4-(2-nitro-1-quinolin-8-ylsulfanyl-ethyl)phenol

Systemtic Name: 4-(2-nitro-1-quinolin-8-ylsulfanyl-ethyl)phenol Openeye Name: 4-[2-nitro-1-(8-quinolylsulfanyl)ethyl]phenol CAS Name: 4-[2-nitro-1-(8-quinolinylthio)ethyl]phenol IUPAC Name: 4-(2-nitro-1-quinolin-8-ylsulfanylethyl)phenol Traditional Name: 4-[2-nitro-1-(8-quinolylthio)ethyl]phenol Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c20-14-8-6-12(7-9-14)16(11-19(21)22)23-15-5-1-3-13-4-2-10-18-17(13)15/h1-10,16,20H,11H2