N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide Openeye Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide CAS Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furancarboxamide IUPAC Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide Traditional Name: N-(4,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furamide Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])N2CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])N2CC#C)C

InChI

InChI=1S/C17H13N3O4S/c1-4-7-19-15-11(3)8-10(2)9-13(15)25-17(19)18-16(21)12-5-6-14(24-12)20(22)23/h1,5-6,8-9H,7H2,2-3H3