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

Systemtic Name: 5-nitro-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-isopropylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(4-isopropylbenzyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S/c1-12(2)14-5-3-13(4-6-14)9-19-23-24-21(29-19)22-20(26)18-11-15-10-16(25(27)28)7-8-17(15)30-18/h3-8,10-12H,9H2,1-2H3,(H,22,24,26)