3-[(1R)-1-phenylethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(1R)-1-phenylethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-[(1R)-1-phenylethyl]sulfanyl-1H-1,2,4-triazole CAS Name: 3-[[(1R)-1-phenylethyl]thio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(1R)-1-phenylethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[[(1R)-1-phenylethyl]thio]-1H-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC2=NNC(=N2)C(C)C

InChI

InChI=1S/C13H17N3S/c1-9(2)12-14-13(16-15-12)17-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15,16)/t10-/m1/s1