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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

InChI

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