(2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-methylphenoxy)propan-2-ol Openeye Name: (2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-methylphenoxy)propan-2-ol CAS Name: (2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(2-methylphenoxy)-2-propanol IUPAC Name: (2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-methylphenoxy)propan-2-ol Traditional Name: (2R)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(2-methylphenoxy)propan-2-ol Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H23N3O2S/c1-15-7-5-6-10-19(15)26-13-18(25)14-27-21-22-20(16-11-12-16)24(23-21)17-8-3-2-4-9-17/h2-10,16,18,25H,11-14H2,1H3/t18-/m1/s1