3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(methoxymethyl)-4-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-5-thione Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NNC2=S)COC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C(=NNC2=S)COC

InChI

InChI=1S/C12H15N3OS/c1-9(10-6-4-3-5-7-10)15-11(8-16-2)13-14-12(15)17/h3-7,9H,8H2,1-2H3,(H,14,17)/t9-/m0/s1