2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-phthalimido-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H12N2O2S MolecularWeight: 308.35438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C17H12N2O2S/c18-9-13-10-5-3-4-8-14(10)22-17(13)19-15(20)11-6-1-2-7-12(11)16(19)21/h1-2,6-7H,3-5,8H2