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

Systemtic Name: 3-[[[4-[(4-methylphenyl)diazenyl]phenyl]amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 6-nitro-3-[[4-(p-tolylazo)anilino]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(4-methylphenyl)azoanilino]methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-[(4-methylphenyl)diazenyl]anilino]methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 6-nitro-3-[[4-(p-tolylazo)anilino]methyl]-1,3-benzothiazole-2-thione Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

InChI

InChI=1S/C21H17N5O2S2/c1-14-2-4-16(5-3-14)23-24-17-8-6-15(7-9-17)22-13-25-19-11-10-18(26(27)28)12-20(19)30-21(25)29/h2-12,22H,13H2,1H3