2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(2,5-dimethyl-3-methylol-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)CO

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)CO

InChI

InChI=1S/C16H18N2OS/c1-10-7-12(9-19)11(2)18(10)16-14(8-17)13-5-3-4-6-15(13)20-16/h7,19H,3-6,9H2,1-2H3