N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2,2-dimethyl-propanamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2,2-dimethyl-propanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-2,2-dimethylpropanamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-2,2-dimethylpropanamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2,2-dimethyl-propionamide Formula: C30H33ClN4OS MolecularWeight: 533.12722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NC(=O)C(C)(C)C

InChI

InChI=1S/C30H33ClN4OS/c1-20-10-9-13-23(16-20)19-37-29-34-33-27(35(29)26-18-24(31)15-14-21(26)2)25(32-28(36)30(3,4)5)17-22-11-7-6-8-12-22/h6-16,18,25H,17,19H2,1-5H3,(H,32,36)