1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitro-benzenecarboximidothioate

Systemtic Name: 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitro-benzenecarboximidothioate Openeye Name: 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitro-benzenecarboximidothioate CAS Name: N-(4-methoxyphenyl)-3-nitrobenzenecarboximidothioic acid 1,3-benzoxazol-2-yl ester IUPAC Name: 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarboximidothioate Traditional Name: N-(4-methoxyphenyl)-3-nitro-benzenecarboximidothioic acid 1,3-benzoxazol-2-yl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H15N3O4S/c1-27-17-11-9-15(10-12-17)22-20(14-5-4-6-16(13-14)24(25)26)29-21-23-18-7-2-3-8-19(18)28-21/h2-13H,1H3