4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

InChI

InChI=1S/C21H27N5O2S/c1-14-23-24-20(25(14)15-9-5-4-6-10-15)29-13-18(27)26-17-12-8-7-11-16(17)22-19(28)21(26,2)3/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3,(H,22,28)