4-[1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-methyl-2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[1-oxo-1-[4-(3-thiophenylmethyl)-1-piperazinyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-1-methyl-2-[4-(3-thenyl)piperazino]ethoxy]benzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CSC=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CSC=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3O2S/c1-15(24-18-4-2-16(12-20)3-5-18)19(23)22-9-7-21(8-10-22)13-17-6-11-25-14-17/h2-6,11,14-15H,7-10,13H2,1H3