5-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-mesitylthiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O3S2/c1-11-6-12(2)19(13(3)7-11)16-10-28-21(22-16)23-20(25)18-9-14-8-15(24(26)27)4-5-17(14)29-18/h4-10H,1-3H3,(H,22,23,25)