1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-4-methyl-piperazine

Systemtic Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-4-methyl-piperazine Openeye Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-4-methyl-piperazine CAS Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-4-methylpiperazine IUPAC Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-4-methylpiperazine Traditional Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-4-methyl-piperazine Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5S/c1-26-15-17-27(18-16-26)14-8-9-19-29-23-25-24-22(20-10-4-2-5-11-20)28(23)21-12-6-3-7-13-21/h2-7,10-13H,14-19H2,1H3