N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C26H26ClN5OS MolecularWeight: 492.03554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5OS/c1-4-5-6-18-7-9-20(10-8-18)32-30-23-14-21(27)22(15-24(23)31-32)28-26(34)29-25(33)19-12-16(2)11-17(3)13-19/h7-15H,4-6H2,1-3H3,(H2,28,29,33,34)