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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-17-20(13-15-29-17)22-25-26-23(27(22)14-12-18-8-4-2-5-9-18)30-16-21(28)24-19-10-6-3-7-11-19/h2-11,13,15H,12,14,16H2,1H3,(H,24,28)