3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]prop-2-yn-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-28-19-10-7-17(8-11-19)9-12-20(27)25-13-15-26(16-14-25)22-23-21(24-29-22)18-5-3-2-4-6-18/h2-8,10-11H,13-16H2,1H3