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

Systemtic Name: N-[5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[(3-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(m-anisylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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