N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide IUPAC Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-12(2)27-16-9-5-14(6-10-16)17(24)20-18-21-22-19(29-18)28-11-13-3-7-15(8-4-13)23(25)26/h3-10,12H,11H2,1-2H3,(H,20,21,24)