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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C25H24ClN5OS2 MolecularWeight: 510.07396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H24ClN5OS2/c1-15(2)17-4-8-19(9-5-17)31-29-22-12-16(3)21(13-23(22)30-31)27-25(33)28-24(32)14-34-20-10-6-18(26)7-11-20/h4-13,15H,14H2,1-3H3,(H2,27,28,32,33)