6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[(2-allylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 6-nitro-3-[[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[[2-(allylthio)-1,3-benzothiazol-6-yl]amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C18H14N4O2S4 MolecularWeight: 446.58936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

InChI

InChI=1S/C18H14N4O2S4/c1-2-7-26-17-20-13-5-3-11(8-15(13)27-17)19-10-21-14-6-4-12(22(23)24)9-16(14)28-18(21)25/h2-6,8-9,19H,1,7,10H2