methyl 2-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanoate Openeye Name: methyl 2-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-[(4-chlorophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C11H9ClN4O4S MolecularWeight: 328.73156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN4O4S/c1-20-9(17)6-15-11(13-10(14-15)16(18)19)21-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3