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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C22H25N5OS2/c1-16(21(28)26-13-11-25(12-14-26)17-6-3-2-4-7-17)30-22-24-23-20(19-8-5-15-29-19)27(22)18-9-10-18/h2-8,15-16,18H,9-14H2,1H3/t16-/m1/s1