2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-19-22(14-16-31-19)24-26-27-25(28(24)2)32-18-23(30)29(17-21-11-7-4-8-12-21)15-13-20-9-5-3-6-10-20/h3-12,14,16H,13,15,17-18H2,1-2H3