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

Systemtic Name: 2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C)C

InChI

InChI=1S/C22H27N5O2S/c1-5-16-9-6-8-15(4)20(16)24-19(28)13-30-22-26-25-21(27(22)23)17-10-7-11-18(12-17)29-14(2)3/h6-12,14H,5,13,23H2,1-4H3,(H,24,28)