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

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furancarboxamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C19H17N3O4S/c1-3-5-6-13-7-8-14-16(12-13)27-19(21(14)11-4-2)20-18(23)15-9-10-17(26-15)22(24)25/h2,7-10,12H,3,5-6,11H2,1H3