4-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(3-methoxyphenyl)-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3-methoxyphenyl)-3-(2-oxolanylmethylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(3-methoxyphenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-benzyl-4-(3-methoxyphenyl)-5-(tetrahydrofurfurylthio)-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC3CCCO3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC3CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-25-18-10-5-9-17(14-18)24-20(13-16-7-3-2-4-8-16)22-23-21(24)27-15-19-11-6-12-26-19/h2-5,7-10,14,19H,6,11-13,15H2,1H3