3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-aniline

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-aniline Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-aniline CAS Name: 3-(1,3-benzothiazol-2-ylthio)-5-nitroaniline IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitroaniline Traditional Name: [3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]amine Formula: C13H9N3O2S2 MolecularWeight: 303.35946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C13H9N3O2S2/c14-8-5-9(16(17)18)7-10(6-8)19-13-15-11-3-1-2-4-12(11)20-13/h1-7H,14H2