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

Systemtic Name: 2-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 2-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 2-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 2-methyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 2-methyl-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(C)C(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C14H13N3O3S/c1-4-7-16-11-8-10(17(19)20)5-6-12(11)21-14(16)15-13(18)9(2)3/h1,5-6,8-9H,7H2,2-3H3