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

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

Systemtic Name:N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
Openeye Name:N-[4-(4-tert-butylphenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide
CAS Name:N-[4-(4-tert-butylphenyl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide
IUPAC Name:N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
Traditional Name:N-[4-(4-tert-butylphenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide
Formula: C22H19N3O3S2
MolecularWeight: 437.53456
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H19N3O3S2/c1-22(2,3)15-6-4-13(5-7-15)17-12-29-21(23-17)24-20(26)19-11-14-10-16(25(27)28)8-9-18(14)30-19/h4-12H,1-3H3,(H,23,24,26)


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