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

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCO[C@H]1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C17H17N3O2S2/c1-2-5-13(6-3-1)20-16(15-7-4-10-23-15)18-19-17(20)24-11-14-8-9-21-12-22-14/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1