(2E)-2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-3H-1,3-benzothiazole

Systemtic Name: (2E)-2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-3H-1,3-benzothiazole Openeye Name: (2E)-2-(3,3-dichloro-1-nitro-2-phenylsulfanyl-prop-2-enylidene)-3H-1,3-benzothiazole CAS Name: (2E)-2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]-3H-1,3-benzothiazole IUPAC Name: (2E)-2-(3,3-dichloro-1-nitro-2-phenylsulfanylprop-2-enylidene)-3H-1,3-benzothiazole Traditional Name: (2E)-2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]-3H-1,3-benzothiazole Formula: C16H10Cl2N2O2S2 MolecularWeight: 397.2988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC(=C(Cl)Cl)/C(=C\2/NC3=CC=CC=C3S2)/[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl2N2O2S2/c17-15(18)14(23-10-6-2-1-3-7-10)13(20(21)22)16-19-11-8-4-5-9-12(11)24-16/h1-9,19H/b16-13+