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

Systemtic Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(4-ethylbenzyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-2-12-3-5-13(6-4-12)9-18-22-23-20(28-18)21-19(25)17-11-14-10-15(24(26)27)7-8-16(14)29-17/h3-8,10-11H,2,9H2,1H3,(H,21,23,25)