(E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)acrylonitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C=C(C#N)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCN1C(=C(C=N1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H14N4S/c1-3-20-11(2)13(10-18-20)8-12(9-17)16-19-14-6-4-5-7-15(14)21-16/h4-8,10H,3H2,1-2H3/b12-8+