4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-butan-1-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-butan-1-one Openeye Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)butan-1-one CAS Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-butanone IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one Traditional Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-butan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-30-21-14-12-20(13-15-21)28-23(19-9-4-2-5-10-19)25-26-24(28)31-18-8-11-22(29)27-16-6-3-7-17-27/h2,4-5,9-10,12-15H,3,6-8,11,16-18H2,1H3