(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloranyl-6-methyl-pyrimidin-4-yl)ethanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloranyl-6-methyl-pyrimidin-4-yl)ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloro-6-methyl-pyrimidin-4-yl)acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloro-6-methyl-4-pyrimidinyl)acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloro-6-methylpyrimidin-4-yl)acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-chloro-6-methyl-pyrimidin-4-yl)acetonitrile Formula: C14H9ClN4S MolecularWeight: 300.76606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=C2NC3=CC=CC=C3S2)C#N)Cl

Isomeric SMILES

CC1=NC(=NC(=C1)/C(=C/2\NC3=CC=CC=C3S2)/C#N)Cl

InChI

InChI=1S/C14H9ClN4S/c1-8-6-11(19-14(15)17-8)9(7-16)13-18-10-4-2-3-5-12(10)20-13/h2-6,18H,1H3/b13-9+