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

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3-chloro-4-methoxyphenyl)-3-(1,3-dioxan-4-ylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-3-(1,3-dioxan-4-ylmethylthio)-5-phenyl-1,2,4-triazole Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCOCO3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCOCO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-25-18-8-7-15(11-17(18)21)24-19(14-5-3-2-4-6-14)22-23-20(24)28-12-16-9-10-26-13-27-16/h2-8,11,16H,9-10,12-13H2,1H3