(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (5-phenyloxazol-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (5-phenyloxazol-2-yl)methyl ester Formula: C20H15N5O5S MolecularWeight: 437.4286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5S/c1-24-12-22-23-20(24)31-17-8-7-14(9-15(17)25(27)28)19(26)29-11-18-21-10-16(30-18)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3