3,6-bis(chloranyl)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)benzothiophene-2-carboxamide Formula: C25H20Cl2N4OS MolecularWeight: 495.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C25H20Cl2N4OS/c1-13(2)15-4-7-17(8-5-15)31-29-20-10-14(3)19(12-21(20)30-31)28-25(32)24-23(27)18-9-6-16(26)11-22(18)33-24/h4-13H,1-3H3,(H,28,32)