4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile

Systemtic Name: 4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile Openeye Name: 4-(4-phenethylpiperazin-1-yl)benzothiophene-2-carbonitrile CAS Name: 4-(4-phenethyl-1-piperazinyl)-1-benzothiophene-2-carbonitrile IUPAC Name: 4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile Traditional Name: 4-(4-phenethylpiperazino)benzothiophene-2-carbonitrile Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C#N

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C#N

InChI

InChI=1S/C21H21N3S/c22-16-18-15-19-20(7-4-8-21(19)25-18)24-13-11-23(12-14-24)10-9-17-5-2-1-3-6-17/h1-8,15H,9-14H2