1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]decan-1-one

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]decan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]decan-1-one CAS Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-1-decanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]decan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]decan-1-one Formula: C29H45N5O2S MolecularWeight: 527.7649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2CC)C3=CC=CC=C3

InChI

InChI=1S/C29H45N5O2S/c1-4-6-7-8-9-10-14-18-27(36)34-21-20-32(23-24(34)3)26(35)19-15-22-37-29-31-30-28(33(29)5-2)25-16-12-11-13-17-25/h11-13,16-17,24H,4-10,14-15,18-23H2,1-3H3