N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(4-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5S/c1-3-7-20-16-11(2)5-4-6-15(16)28-18(20)19-17(23)12-8-13(21(24)25)10-14(9-12)22(26)27/h1,4-6,8-10H,7H2,2H3