2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-6-[(phenylmethyl)amino]hexanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-6-[(phenylmethyl)amino]hexanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-(benzylamino)-3-oxo-hexanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-6-[(phenylmethyl)amino]hexanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-(benzylamino)-3-oxohexanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-6-(benzylamino)-3-keto-hexanenitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c21-13-16(20-23-17-9-4-5-11-19(17)25-20)18(24)10-6-12-22-14-15-7-2-1-3-8-15/h1-5,7-9,11,16,22H,6,10,12,14H2