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

Systemtic Name: methyl 2-cyano-2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(1-methyltetrazol-5-yl)sulfanylquinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(1-methyl-5-tetrazolyl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(1-methyltetrazol-5-yl)sulfanylquinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(1-methyltetrazol-5-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C14H11N7O2S MolecularWeight: 341.34784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C14H11N7O2S/c1-21-14(18-19-20-21)24-12-11(8(7-15)13(22)23-2)16-9-5-3-4-6-10(9)17-12/h3-6,8H,1-2H3