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

Systemtic Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]dodecan-1-one Openeye Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]dodecan-1-one CAS Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopentyl]-1-piperazinyl]-1-dodecanone IUPAC Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]dodecan-1-one Traditional Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentanoyl]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)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C31H49N5O2S/c1-4-5-6-7-8-9-10-11-15-21-30(38)35-23-22-34(25-26(35)2)29(37)20-16-17-24-39-31-33-32-27(3)36(31)28-18-13-12-14-19-28/h12-14,18-19,26H,4-11,15-17,20-25H2,1-3H3