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

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazino)propan-1-one Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C19H28N6O2S/c1-4-23-10-12-24(13-11-23)18(26)14(3)28-19-22-21-17(25(19)20)15-6-8-16(9-7-15)27-5-2/h6-9,14H,4-5,10-13,20H2,1-3H3