2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-phenylethyl)piperazino]ethanone Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c1-18(20-9-5-3-6-10-20)26-13-15-27(16-14-26)22(29)17-30-23-25-24-19(2)28(23)21-11-7-4-8-12-21/h3,5-6,9-10,18,21H,4,7-8,11-17H2,1-2H3