N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)CSC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)CSC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H25ClN4OS/c1-3-4-5-18-6-10-20(11-7-18)30-28-23-14-17(2)22(15-24(23)29-30)27-25(31)16-32-21-12-8-19(26)9-13-21/h6-15H,3-5,16H2,1-2H3,(H,27,31)