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

Systemtic Name: 4-(4-chlorophenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(tetrahydropyran-2-ylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2-oxanylmethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(tetrahydropyran-2-ylmethylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C18H18ClN3OS2 MolecularWeight: 391.93802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C18H18ClN3OS2/c19-13-6-8-14(9-7-13)22-17(16-5-3-11-24-16)20-21-18(22)25-12-15-4-1-2-10-23-15/h3,5-9,11,15H,1-2,4,10,12H2