5-[(4-methoxy-2-nitro-phenoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(4-methoxy-2-nitro-phenoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-methoxy-2-nitro-phenoxy)methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(4-methoxy-2-nitrophenoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-methoxy-2-nitrophenoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(4-methoxy-2-nitro-phenoxy)methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-11-3-5-12(6-4-11)19-17(23)18-21-20-16(28-18)10-27-15-8-7-13(26-2)9-14(15)22(24)25/h3-9H,10H2,1-2H3,(H,19,23)