3-[butyl-[4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[butyl-[4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C21H23N5OS/c1-3-4-13-26(14-5-12-22)17-8-6-16(7-9-17)24-25-21-23-19-11-10-18(27-2)15-20(19)28-21/h6-11,15H,3-5,13-14H2,1-2H3