2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazino)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-2-25-13-15-26(16-14-25)20(28)17-29-22-24-23-21(18-9-5-3-6-10-18)27(22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3