2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=CN3C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=CN3C

InChI

InChI=1S/C16H21N5OS/c1-13(23-16-18-17-12-19(16)2)15(22)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3