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

Systemtic Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-[[4-(ethylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[4-(ethylthio)benzyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S2/c1-2-29-15-6-3-12(4-7-15)9-18-22-23-20(28-18)21-19(25)17-11-13-10-14(24(26)27)5-8-16(13)30-17/h3-8,10-11H,2,9H2,1H3,(H,21,23,25)