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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=CC=CN1C2=C(SC3=C2CCCC3)C#N

Isomeric SMILES

CC(C)(C)NCC1=CC=CN1C2=C(SC3=C2CCCC3)C#N

InChI

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