methyl 2-cyano-2-[3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C20H20N6O2S/c1-11(2)17-24-25-20(26(17)12-8-9-12)29-18-16(13(10-21)19(27)28-3)22-14-6-4-5-7-15(14)23-18/h4-7,11-13H,8-9H2,1-3H3