2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-16-9-11-18(12-10-16)21-23-24-22(25(21)14-19-8-5-13-27-19)28-15-20(26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3