2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCCCC3

InChI

InChI=1S/C16H21N5O2S/c1-23-13-7-5-12(6-8-13)15-18-19-16(21(15)17)24-11-14(22)20-9-3-2-4-10-20/h5-8H,2-4,9-11,17H2,1H3