N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C18H12N4O6S MolecularWeight: 412.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C18H12N4O6S/c1-3-6-20-15-5-4-14(28-2)10-16(15)29-18(20)19-17(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h1,4-5,7-10H,6H2,2H3