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

Systemtic Name: 2-nitro-4-(phenylmethylsulfanyl)quinolin-3-amine Openeye Name: 4-benzylsulfanyl-2-nitro-quinolin-3-amine CAS Name: 2-nitro-4-(phenylmethylthio)-3-quinolinamine IUPAC Name: 4-benzylsulfanyl-2-nitroquinolin-3-amine Traditional Name: [4-(benzylthio)-2-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=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

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