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

Systemtic Name: 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[2-(butylaminomethyl)-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCCCNCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H23N3S/c1-2-3-10-20-13-14-7-6-11-21(14)18-16(12-19)15-8-4-5-9-17(15)22-18/h6-7,11,20H,2-5,8-10,13H2,1H3