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

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(3-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-28-18-9-7-15(8-10-18)20(27)14-30-22-25-24-21(16-4-2-5-17(23)12-16)26(22)13-19-6-3-11-29-19/h2-12H,13-14H2,1H3