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

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3CCOCO3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SC[C@H]3CCOCO3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S2/c1-13-5-6-16(23-2)15(10-13)22-18(17-4-3-9-26-17)20-21-19(22)27-11-14-7-8-24-12-25-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3/t14-/m1/s1