1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C26H37N5O2S MolecularWeight: 483.66928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H37N5O2S/c1-3-30-24(21-11-6-4-7-12-21)27-28-26(30)34-18-10-15-23(32)29-16-17-31(20(2)19-29)25(33)22-13-8-5-9-14-22/h4,6-7,11-12,20,22H,3,5,8-10,13-19H2,1-2H3