1-(4-ethylpiperazin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C22H32N6OS/c1-3-25-13-15-27(16-14-25)21(29)18(2)30-22-24-23-20(17-26-11-7-8-12-26)28(22)19-9-5-4-6-10-19/h4-6,9-10,18H,3,7-8,11-17H2,1-2H3