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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-3-29-22(18-20-10-6-4-7-11-20)25-26-24(29)31-19(2)23(30)28-16-14-27(15-17-28)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3