(E)-3-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-pyridyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-pyridinyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-pyridyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acrylonitrile Formula: C15H13N3S MolecularWeight: 267.34882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)C(=CC3=CC=CC=N3)C#N

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)/C(=C/C3=CC=CC=N3)/C#N

InChI

InChI=1S/C15H13N3S/c16-10-11(9-12-5-3-4-8-17-12)15-18-13-6-1-2-7-14(13)19-15/h3-5,8-9H,1-2,6-7H2/b11-9+