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

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

Isomeric SMILES

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

InChI

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