(3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol

Systemtic Name: (3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol Openeye Name: (3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol CAS Name: (3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol IUPAC Name: (3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol Traditional Name: (3-nitro-1-phenyl-4H-pyridin-2-yl)methanethiol Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C(=C1[N+](=O)[O-])CS)C2=CC=CC=C2

Isomeric SMILES

C1C=CN(C(=C1[N+](=O)[O-])CS)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c15-14(16)11-7-4-8-13(12(11)9-17)10-5-2-1-3-6-10/h1-6,8,17H,7,9H2