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

Systemtic Name: 2-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: N-[5-[(4-isopropylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[5-[[4-(propan-2-ylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: N-[5-[4-(isopropylthio)benzyl]-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-12(2)29-15-9-7-14(8-10-15)11-18-22-23-20(28-18)21-19(25)16-5-4-6-17(13(16)3)24(26)27/h4-10,12H,11H2,1-3H3,(H,21,23,25)