N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butyramide Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCSC

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCSC

InChI

InChI=1S/C14H17N3O3S2/c1-3-4-13(18)15-14-16(7-8-21-2)11-6-5-10(17(19)20)9-12(11)22-14/h5-6,9H,3-4,7-8H2,1-2H3