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

Systemtic Name: N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(2,4-dimethylbenzyl)-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:

CC1=CC(=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

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