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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C22H32N6O2S MolecularWeight: 444.59348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H32N6O2S/c23-28-21(18-7-3-1-4-8-18)24-25-22(28)31-17-20(29)27-13-11-26(12-14-27)15-16-30-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17,23H2