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

Systemtic Name: 2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H23N5O2S/c1-13(2)14-8-10-16(11-9-14)27-12-17-23-24-20(25(17)22)28-18(19(21)26)15-6-4-3-5-7-15/h3-11,13,18H,12,22H2,1-2H3,(H2,21,26)