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

Systemtic Name: 2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)N3CCCCC3

InChI

InChI=1S/C17H23N5O2S/c1-24-14-7-5-13(6-8-14)11-15-19-20-17(22(15)18)25-12-16(23)21-9-3-2-4-10-21/h5-8H,2-4,9-12,18H2,1H3