3-[[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-but-1-enyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-but-1-enyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-but-1-enyl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxobut-1-enyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxobut-1-enyl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-keto-but-1-enyl]-N-methyl-anilino]propionitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)N(C)CCC#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)/C(=C/C1=CC=C(C=C1)N(C)CCC#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19N3OS/c1-15(25)18(21-23-19-6-3-4-7-20(19)26-21)14-16-8-10-17(11-9-16)24(2)13-5-12-22/h3-4,6-11,14H,5,13H2,1-2H3/b18-14-