N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide

Systemtic Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O4S2/c1-11-4-3-5-12(8-11)16(23)19-17-20-21-18(28-17)27-10-13-9-14(22(24)25)6-7-15(13)26-2/h3-9H,10H2,1-2H3,(H,19,20,23)