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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C(C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4OS/c1-5-19-13-9-10-17(4)22(19)24-21(28)15-29-23-26-25-20(27(23)16(2)3)14-18-11-7-6-8-12-18/h6-13,16H,5,14-15H2,1-4H3,(H,24,28)