(3aS,7aR)-2-(pyridin-4-ylmethyliminomethyl)-3a,7a-dihydro-1-benzothiophen-3-one

Systemtic Name: (3aS,7aR)-2-(pyridin-4-ylmethyliminomethyl)-3a,7a-dihydro-1-benzothiophen-3-one Openeye Name: (3aS,7aR)-2-(4-pyridylmethyliminomethyl)-3a,7a-dihydrobenzothiophen-3-one CAS Name: (3aS,7aR)-2-(pyridin-4-ylmethyliminomethyl)-3a,7a-dihydro-1-benzothiophen-3-one IUPAC Name: (3aS,7aR)-2-(pyridin-4-ylmethyliminomethyl)-3a,7a-dihydro-1-benzothiophen-3-one Traditional Name: (3aS,7aR)-2-(4-pyridylmethyliminomethyl)-3a,7a-dihydrobenzothiophen-3-one Formula: C15H14N2OS MolecularWeight: 270.34946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)SC(C2=O)C=NCC3=CC=NC=C3

Isomeric SMILES

C1=C[C@@H]2[C@@H](C=C1)SC(C2=O)C=NCC3=CC=NC=C3

InChI

InChI=1S/C15H14N2OS/c18-15-12-3-1-2-4-13(12)19-14(15)10-17-9-11-5-7-16-8-6-11/h1-8,10,12-14H,9H2/t12-,13-,14?/m1/s1