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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N5OS/c1-4-22-9-11-23(12-10-22)17(24)14(3)25-18-19-16(20-21-18)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3,(H,19,20,21)