1-(4-ethylpiperazin-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazino)propan-1-one Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C19H27N5OS/c1-4-22-10-12-23(13-11-22)18(25)15(2)26-19-21-20-16(3)24(19)14-17-8-6-5-7-9-17/h5-9,15H,4,10-14H2,1-3H3