2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c1-3-26-19(18-10-7-15-28-18)22-23-21(26)29-16(2)20(27)25-13-11-24(12-14-25)17-8-5-4-6-9-17/h4-10,15-16H,3,11-14H2,1-2H3