N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H20ClN5OS2 MolecularWeight: 470.0101

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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=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20ClN5OS2/c1-2-3-5-14-7-9-15(10-8-14)28-26-18-12-16(23)17(13-19(18)27-28)24-22(30)25-21(29)20-6-4-11-31-20/h4,6-13H,2-3,5H2,1H3,(H2,24,25,29,30)