N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-furan-2-carboxamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-furan-2-carboxamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-2-furancarboxamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-2-furamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])N2CCSC

InChI

InChI=1S/C17H17N3O4S2/c1-10-8-12-14(9-11(10)2)26-17(19(12)6-7-25-3)18-16(21)13-4-5-15(24-13)20(22)23/h4-5,8-9H,6-7H2,1-3H3