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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S/c1-2-7-15(8-3-1)18-20-21-19(22(18)13-16-10-6-12-23-16)25-14-17-9-4-5-11-24-17/h1-3,6-8,10,12,17H,4-5,9,11,13-14H2