1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(m-tolyl)piperazino]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-17-6-5-9-19(14-17)24-10-12-25(13-11-24)20(27)15-28-21-22-16-26(23-21)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3