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

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[3-(1-pyrazolyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Formula: C19H17N7S MolecularWeight: 375.45018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCCN4C=CC=N4)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/C#N)\C3=NC(=NC=C3)NCCCN4C=CC=N4)/S2

InChI

InChI=1S/C19H17N7S/c20-13-14(18-24-16-5-1-2-6-17(16)27-18)15-7-10-22-19(25-15)21-8-3-11-26-12-4-9-23-26/h1-2,4-7,9-10,12,24H,3,8,11H2,(H,21,22,25)/b18-14+