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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)propan-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21N3O2S/c1-14(19(25)15-10-12-18(26-2)13-11-15)27-21-23-22-20(16-8-9-16)24(21)17-6-4-3-5-7-17/h3-7,10-14,16H,8-9H2,1-2H3/t14-/m1/s1