2-[2-[4-(2-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(2-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(2-cyanophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(2-cyanophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(2-cyanophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(2-cyanophenyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)CSCC(=O)O

InChI

InChI=1S/C15H17N3O3S/c16-9-12-3-1-2-4-13(12)17-5-7-18(8-6-17)14(19)10-22-11-15(20)21/h1-4H,5-8,10-11H2,(H,20,21)