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

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3S2/c1-11-3-4-12(2)15(7-11)16-10-27-20(21-16)22-19(24)18-9-13-8-14(23(25)26)5-6-17(13)28-18/h3-10H,1-2H3,(H,21,22,24)