5-methyl-2-[(E)-2-nitroethenyl]benzenethiol

Systemtic Name: 5-methyl-2-[(E)-2-nitroethenyl]benzenethiol Openeye Name: 5-methyl-2-[(E)-2-nitrovinyl]benzenethiol CAS Name: 5-methyl-2-[(E)-2-nitroethenyl]benzenethiol IUPAC Name: 5-methyl-2-[(E)-2-nitroethenyl]benzenethiol Traditional Name: 5-methyl-2-[(E)-2-nitrovinyl]benzenethiol Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C[N+](=O)[O-])S

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])S

InChI

InChI=1S/C9H9NO2S/c1-7-2-3-8(9(13)6-7)4-5-10(11)12/h2-6,13H,1H3/b5-4+