(E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)azanium

Systemtic Name: (E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)azanium Openeye Name: (E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)ammonium CAS Name: (E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)ammonium IUPAC Name: (E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)azanium Traditional Name: (E)-[7-(1-cyanoethyl)-6-nitro-3H-1,3-benzothiazol-2-ylidene]-(ethylcarbamoyl)ammonium Formula: C13H14N5O3S+ MolecularWeight: 320.34696

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)[NH+]=C1NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(C)C#N

Isomeric SMILES

CCNC(=O)/[NH+]=C/1\NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(C)C#N

InChI

InChI=1S/C13H13N5O3S/c1-3-15-12(19)17-13-16-8-4-5-9(18(20)21)10(7(2)6-14)11(8)22-13/h4-5,7H,3H2,1-2H3,(H2,15,16,17,19)/p+1