3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-furyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(4-methoxyphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-furyl)-5-(p-anisylthio)-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

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