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

Systemtic Name: 4-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5)C

InChI

InChI=1S/C21H26N6O2S/c1-21(2)18(29)22-15-7-3-4-8-16(15)27(21)17(28)13-30-20-24-23-19(25-11-5-6-12-25)26(20)14-9-10-14/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,22,29)