2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4S/c1-34-22-10-6-5-9-21(22)24-27-28-25(29(24)16-15-18-7-3-2-4-8-18)35-17-23(31)26-19-11-13-20(14-12-19)30(32)33/h2-14H,15-17H2,1H3,(H,26,31)