2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-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=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

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