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

Systemtic Name: 3,4-bis(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3,4-bis(4-chlorophenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3,4-bis(4-chlorophenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3,4-bis(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3,4-bis(4-chlorophenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C20H19Cl2N3OS MolecularWeight: 420.35536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19Cl2N3OS/c21-15-6-4-14(5-7-15)19-23-24-20(27-13-18-3-1-2-12-26-18)25(19)17-10-8-16(22)9-11-17/h4-11,18H,1-3,12-13H2