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

Systemtic Name: 3-(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c21-16-11-9-15(10-12-16)19-22-23-20(24(19)17-6-2-1-3-7-17)26-14-18-8-4-5-13-25-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2