(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-oxidanylpiperidin-1-yl)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-oxidanylpiperidin-1-yl)pyrimidin-4-yl]ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-hydroxy-1-piperidyl)pyrimidin-4-yl]acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-hydroxy-1-piperidinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-hydroxypiperidino)pyrimidin-4-yl]acetonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC=CC(=N2)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1CN(CCC1O)C2=NC=CC(=N2)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C18H17N5OS/c19-11-13(17-21-15-3-1-2-4-16(15)25-17)14-5-8-20-18(22-14)23-9-6-12(24)7-10-23/h1-5,8,12,21,24H,6-7,9-10H2/b17-13+