3-[ethyl-[3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[ethyl-[3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2S/c1-3-24(10-4-9-20)14-5-7-16(13(2)11-14)22-23-19-21-17-8-6-15(25(26)27)12-18(17)28-19/h5-8,11-12H,3-4,10H2,1-2H3