(3-azanyl-2-methyl-6-nitro-phenyl)methanethiol

Systemtic Name: (3-azanyl-2-methyl-6-nitro-phenyl)methanethiol Openeye Name: (3-amino-2-methyl-6-nitro-phenyl)methanethiol CAS Name: (3-amino-2-methyl-6-nitrophenyl)methanethiol IUPAC Name: (3-amino-2-methyl-6-nitrophenyl)methanethiol Traditional Name: (3-amino-2-methyl-6-nitro-phenyl)methanethiol Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CS)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=CC(=C1CS)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O2S/c1-5-6(4-13)8(10(11)12)3-2-7(5)9/h2-3,13H,4,9H2,1H3