1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-2-pyrrolidone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C21H26N4O2S/c1-15-22-23-21(25(15)17-8-3-2-4-9-17)28-14-19(26)16-7-5-10-18(13-16)24-12-6-11-20(24)27/h5,7,10,13,17H,2-4,6,8-9,11-12,14H2,1H3