6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione

Systemtic Name: 6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione Openeye Name: 6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione CAS Name: 6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione IUPAC Name: 6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione Traditional Name: 6-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1H-pyrimidine-2-thione Formula: C23H19Cl2N5O3S MolecularWeight: 516.39966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=NC(=S)N5

Isomeric SMILES

C1[C@H](O[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=NC(=S)N5

InChI

InChI=1S/C23H19Cl2N5O3S/c24-16-3-6-19(20(25)9-16)23(12-30-14-26-13-28-30)32-11-18(33-23)10-31-17-4-1-15(2-5-17)21-7-8-27-22(34)29-21/h1-9,13-14,18H,10-12H2,(H,27,29,34)/t18-,23-/m1/s1