3-[[4-[[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methyl-anilino]propanenitrile CAS Name: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile Traditional Name: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methyl-anilino]propionitrile Formula: C19H17Cl2N5S MolecularWeight: 418.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl)C

InChI

InChI=1S/C19H17Cl2N5S/c1-3-26(8-4-7-22)13-5-6-16(12(2)9-13)24-25-19-23-17-10-14(20)15(21)11-18(17)27-19/h5-6,9-11H,3-4,8H2,1-2H3