3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(m-tolyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-(m-tolyl)-5-phenyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3CCOCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC[C@H]3CCOCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-15-6-5-9-17(12-15)23-19(16-7-3-2-4-8-16)21-22-20(23)26-13-18-10-11-24-14-25-18/h2-9,12,18H,10-11,13-14H2,1H3/t18-/m1/s1