(E)-2-(1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-methyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)acrylonitrile Formula: C14H10N4S MolecularWeight: 266.321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C=C(C=N1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H10N4S/c1-18-9-10(8-16-18)6-11(7-15)14-17-12-4-2-3-5-13(12)19-14/h2-6,8-9H,1H3/b11-6+