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

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-3-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3-chloro-4-methoxyphenyl)-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-3-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-26-19-11-10-16(13-18(19)22)25-20(15-7-3-2-4-8-15)23-24-21(25)28-14-17-9-5-6-12-27-17/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3