N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C19H14N4O4S/c1-3-10-22-16-9-8-13(20-12(2)24)11-17(16)28-19(22)21-18(25)14-6-4-5-7-15(14)23(26)27/h1,4-9,11H,10H2,2H3,(H,20,24)