3-(furan-2-yl)-4-[(4-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-4-[(4-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2-furyl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-[(4-methoxyphenyl)methyl]-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(furan-2-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2-furyl)-4-p-anisyl-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H19N3O2S/c1-25-18-11-9-16(10-12-18)14-24-20(19-8-5-13-26-19)22-23-21(24)27-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3