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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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