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

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]dodecan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]dodecan-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-dodecanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]dodecan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]dodecan-1-one Formula: C31H49N5O2S MolecularWeight: 555.81806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49N5O2S/c1-4-6-7-8-9-10-11-12-16-20-29(38)36-23-22-34(25-26(36)3)28(37)21-17-24-39-31-33-32-30(35(31)5-2)27-18-14-13-15-19-27/h13-15,18-19,26H,4-12,16-17,20-25H2,1-3H3