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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propionamide Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S2/c1-3-12(17)14-13-15(6-7-20-2)10-5-4-9(16(18)19)8-11(10)21-13/h4-5,8H,3,6-7H2,1-2H3