4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4

InChI

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