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

Systemtic Name: methyl 2-cyano-2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H17N7O2S MolecularWeight: 443.48108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C22H17N7O2S/c1-31-21(30)15(12-23)18-20(26-17-5-3-2-4-16(17)25-18)32-22-28-27-19(29(22)14-6-7-14)13-8-10-24-11-9-13/h2-5,8-11,14-15H,6-7H2,1H3