N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4)OC(C)C

InChI

InChI=1S/C26H26N4O2S/c1-18(2)32-26-28-25(20-11-9-19(3)10-12-20)30(29-26)22-15-13-21(14-16-22)27-24(31)17-33-23-7-5-4-6-8-23/h4-16,18H,17H2,1-3H3,(H,27,31)