ethyl 2-[4-methyl-5-(5-nitroquinolin-8-yl)sulfanyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-5-(5-nitroquinolin-8-yl)sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[(5-nitro-8-quinolyl)sulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(5-nitro-8-quinolinyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-(5-nitroquinolin-8-yl)sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-5-[(5-nitro-8-quinolyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

InChI

InChI=1S/C16H15N5O4S/c1-3-25-14(22)9-13-18-19-16(20(13)2)26-12-7-6-11(21(23)24)10-5-4-8-17-15(10)12/h4-8H,3,9H2,1-2H3