3,3-dimethyl-4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 4-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 4-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C

InChI

InChI=1S/C22H22N6O2S/c1-4-13-27-19(15-9-11-23-12-10-15)25-26-21(27)31-14-18(29)28-17-8-6-5-7-16(17)24-20(30)22(28,2)3/h4-12H,1,13-14H2,2-3H3,(H,24,30)