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

Systemtic Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[[4-(ethylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-[4-(ethylthio)benzyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O4S/c1-3-28-14-9-7-13(8-10-14)11-17-21-22-19(27-17)20-18(24)15-5-4-6-16(12(15)2)23(25)26/h4-10H,3,11H2,1-2H3,(H,20,22,24)