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

Systemtic Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4OS/c1-16(20(26)24-14-8-9-15-24)27-21-22-19(17-10-4-2-5-11-17)25(23-21)18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,2,4-5,8-11,14-15H2,1H3/t16-/m1/s1