4-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[5-[[4-(methylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[5-[4-(methylthio)benzyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-3-6-13(10-15(11)22(24)25)17(23)19-18-21-20-16(26-18)9-12-4-7-14(27-2)8-5-12/h3-8,10H,9H2,1-2H3,(H,19,21,23)