1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-(2-thenoyl)piperazino]pentan-1-one Formula: C30H33N5O2S2 MolecularWeight: 559.74532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O2S2/c1-23-22-33(17-18-34(23)29(37)26-15-10-20-38-26)28(36)16-8-9-19-39-30-32-31-27(21-24-11-4-2-5-12-24)35(30)25-13-6-3-7-14-25/h2-7,10-15,20,23H,8-9,16-19,21-22H2,1H3