2-(2-methylphenoxy)ethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 2-(2-methylphenoxy)ethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-(2-methylphenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid 2-(2-methylphenoxy)ethyl ester Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C18H17N5O5S/c1-12-5-3-4-6-15(12)27-9-10-28-17(24)14-11-13(23(25)26)7-8-16(14)29-18-19-20-21-22(18)2/h3-8,11H,9-10H2,1-2H3