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

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(dipropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(dipropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(dipropylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(dipropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(dipropylamino)pyrimidin-4-yl]acetonitrile Formula: C19H21N5S MolecularWeight: 351.46854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC=CC(=N1)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CCCN(CCC)C1=NC=CC(=N1)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C19H21N5S/c1-3-11-24(12-4-2)19-21-10-9-15(23-19)14(13-20)18-22-16-7-5-6-8-17(16)25-18/h5-10,22H,3-4,11-12H2,1-2H3/b18-14+