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

Systemtic Name: 3-nitro-2-(phenylmethylsulfanyl)pyridin-4-amine Openeye Name: 2-benzylsulfanyl-3-nitro-pyridin-4-amine CAS Name: 3-nitro-2-(phenylmethylthio)-4-pyridinamine IUPAC Name: 2-benzylsulfanyl-3-nitropyridin-4-amine Traditional Name: [2-(benzylthio)-3-nitro-4-pyridyl]amine Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H11N3O2S/c13-10-6-7-14-12(11(10)15(16)17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,14)