2-(4-methoxyphenyl)-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-26-15-7-5-12(6-8-15)10-16(23)19-17-20-21-18(28-17)27-11-13-3-2-4-14(9-13)22(24)25/h2-9H,10-11H2,1H3,(H,19,20,23)