N-[(3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-hydroxy-3-isopropyl-6-methyl-benzyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C)O)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C)O)C(C)C)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-13(2)17-10-19(23)14(3)18(21(17)29)11-24-20(28)12-30-22-26-25-15(4)27(22)16-8-6-5-7-9-16/h5-10,13,29H,11-12H2,1-4H3,(H,24,28)