furan-2-yl-[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: furan-2-yl-[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone Openeye Name: [5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[3-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]methanone IUPAC Name: [5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone Traditional Name: [5-(benzylthio)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O3S/c1-26-17-11-9-16(10-12-17)19-22-21(28-14-15-6-3-2-4-7-15)24(23-19)20(25)18-8-5-13-27-18/h2-13H,14H2,1H3