1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c26-20(16-27-18-9-5-2-6-10-18)24-11-13-25(14-12-24)21-22-19(23-28-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2