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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H25N5O2S/c1-13(2)15-10-7-8-14(3)19(15)23-18(27)12-29-21-25-24-20(26(21)22)16-9-5-6-11-17(16)28-4/h5-11,13H,12,22H2,1-4H3,(H,23,27)