2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C#N

InChI

InChI=1S/C13H12N2S/c14-9-11-10-5-1-2-6-12(10)16-13(11)15-7-3-4-8-15/h3-4,7-8H,1-2,5-6H2