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

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]-3-methyl-butan-1-one Formula: C24H35N5O2S MolecularWeight: 457.632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H35N5O2S/c1-5-28-23(20-10-7-6-8-11-20)25-26-24(28)32-15-9-12-21(30)27-13-14-29(19(4)17-27)22(31)16-18(2)3/h6-8,10-11,18-19H,5,9,12-17H2,1-4H3