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

Systemtic Name: (E)-3-pyridin-3-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-pyridyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-pyridinyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-pyridin-3-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-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=CN=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3S/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h3-4,7-8,10H,1-2,5-6H2/b12-8+