5-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)isoxazole-3-carboxamide CAS Name: 5-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)isoxazole-3-carboxamide Formula: C15H10N4O4S MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC1=CC(=NO1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C15H10N4O4S/c1-3-6-18-12-8-10(19(21)22)4-5-13(12)24-15(18)16-14(20)11-7-9(2)23-17-11/h1,4-5,7-8H,6H2,2H3