2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

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