N-ethyl-2-[[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrilium

Systemtic Name: N-ethyl-2-[[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrilium Openeye Name: N-ethyl-2-[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrilium CAS Name: N-ethyl-2-[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrilium IUPAC Name: N-ethyl-2-[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrilium Traditional Name: N-ethyl-2-[3-methyl-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propiononitrilium Formula: C19H19N6O2S+ MolecularWeight: 395.45816

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]#CC(C)NC1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]#CC(C)NC1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N6O2S/c1-4-20-11-13(3)21-14-5-7-16(12(2)9-14)23-24-19-22-17-10-15(25(26)27)6-8-18(17)28-19/h5-10,13,21H,4H2,1-3H3/q+1