N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloranyl-5-nitro-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitrobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitrobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide Formula: C19H13ClN4O4S MolecularWeight: 428.84892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O4S/c1-3-8-23-16-7-4-12(21-11(2)25)9-17(16)29-19(23)22-18(26)14-10-13(24(27)28)5-6-15(14)20/h1,4-7,9-10H,8H2,2H3,(H,21,25)