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

Systemtic Name: 3-[2-hydroxyethyl-[4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-3-methyl-phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-hydroxyethyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]-3-methyl-anilino]propanenitrile CAS Name: 3-[N-(2-hydroxyethyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]-3-methylanilino]propanenitrile IUPAC Name: 3-[N-(2-hydroxyethyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-3-methylanilino]propanenitrile Traditional Name: 3-[N-(2-hydroxyethyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)azo]-3-methyl-anilino]propionitrile Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C20H21N5O2S/c1-14-12-15(25(10-11-26)9-3-8-21)4-6-17(14)23-24-20-22-18-7-5-16(27-2)13-19(18)28-20/h4-7,12-13,26H,3,9-11H2,1-2H3