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

Systemtic Name: methyl 2-cyano-2-[3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C17H16N6O2S/c1-9(2)14-21-17(23-22-14)26-15-13(10(8-18)16(24)25-3)19-11-6-4-5-7-12(11)20-15/h4-7,9-10H,1-3H3,(H,21,22,23)