4-nitro-2-(phenylmethylsulfanyl)quinolin-3-amine

Systemtic Name: 4-nitro-2-(phenylmethylsulfanyl)quinolin-3-amine Openeye Name: 2-benzylsulfanyl-4-nitro-quinolin-3-amine CAS Name: 4-nitro-2-(phenylmethylthio)-3-quinolinamine IUPAC Name: 2-benzylsulfanyl-4-nitroquinolin-3-amine Traditional Name: [2-(benzylthio)-4-nitro-3-quinolyl]amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=C2N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=C2N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c17-14-15(19(20)21)12-8-4-5-9-13(12)18-16(14)22-10-11-6-2-1-3-7-11/h1-9H,10,17H2