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

Systemtic Name: 5-nitro-N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(4-isopropylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[5-[4-(propan-2-ylthio)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[4-(isopropylthio)phenyl]-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:

CC(C)SC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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