4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S/c1-29-20-11-5-10-19(16-20)23-25-26-24(27(23)17-21-12-6-14-30-21)31-15-7-13-22(28)18-8-3-2-4-9-18/h2-6,8-12,14,16H,7,13,15,17H2,1H3