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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=CN3C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=CN3C

InChI

InChI=1S/C17H23N5OS/c1-14(24-17-19-18-13-20(17)2)16(23)22-10-8-21(9-11-22)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3