3-(3-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-methoxyphenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-methoxyphenyl)-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-methoxyphenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

InChI

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