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

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

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

Isomeric SMILES

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

InChI

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