2-[2-oxidanylidene-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]ethyl]thio]acetic acid Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)CSCC(=O)O

InChI

InChI=1S/C16H18N4O3S2/c21-13(10-24-11-14(22)23)19-6-8-20(9-7-19)16-17-15(18-25-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,22,23)