3-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCN1C(=O)NN=C1SC[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H23N3O3S/c1-2-12-23-19(25)21-22-20(23)27-14-17(24)13-26-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,17,24H,2,12-14H2,1H3,(H,21,25)/t17-/m0/s1