N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC#C)C

InChI

InChI=1S/C19H14N4O5S/c1-4-5-21-16-7-11(2)6-12(3)17(16)29-19(21)20-18(24)13-8-14(22(25)26)10-15(9-13)23(27)28/h1,6-10H,5H2,2-3H3