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

Systemtic Name: 2-(3-ethylphenoxy)ethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-(3-ethylphenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid 2-(3-ethylphenoxy)ethyl ester IUPAC Name: 2-(3-ethylphenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid 2-(3-ethylphenoxy)ethyl ester Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CCC1=CC(=CC=C1)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C19H19N5O5S/c1-3-13-5-4-6-15(11-13)28-9-10-29-18(25)16-12-14(24(26)27)7-8-17(16)30-19-20-21-22-23(19)2/h4-8,11-12H,3,9-10H2,1-2H3