3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(3-chlorophenyl)-1-[2-methyl-4-(1,3,4-thiadiazol-2-yl)piperazino]prop-2-yn-1-one Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)Cl)C3=NN=CS3

Isomeric SMILES

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)Cl)C3=NN=CS3

InChI

InChI=1S/C16H15ClN4OS/c1-12-10-20(16-19-18-11-23-16)7-8-21(12)15(22)6-5-13-3-2-4-14(17)9-13/h2-4,9,11-12H,7-8,10H2,1H3