3-[[(4-methylphenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(4-methylphenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-methylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[(4-methylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-methylanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 6-nitro-3-(p-toluidinomethyl)-1,3-benzothiazole-2-thione Formula: C15H13N3O2S2 MolecularWeight: 331.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S2/c1-10-2-4-11(5-3-10)16-9-17-13-7-6-12(18(19)20)8-14(13)22-15(17)21/h2-8,16H,9H2,1H3