3-[[(2,6-dimethylphenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(2,6-dimethylphenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[(2,6-dimethylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[(2,6-dimethylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[(2,6-dimethylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-[(2,6-dimethylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C16H15N3O2S2/c1-10-4-3-5-11(2)15(10)17-9-18-13-7-6-12(19(20)21)8-14(13)23-16(18)22/h3-8,17H,9H2,1-2H3