3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-chlorophenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-(2-oxanylmethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-chlorophenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3OS/c22-19-12-5-4-11-18(19)20-23-24-21(27-15-17-10-6-7-13-26-17)25(20)14-16-8-2-1-3-9-16/h1-5,8-9,11-12,17H,6-7,10,13-15H2