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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H28N6OS/c1-3-27-13-15-28(16-14-27)22(30)18(2)31-23-26-25-21(20-9-11-24-12-10-20)29(23)17-19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3