S-[(3Z)-3-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-[(1-p-anisyltetrazol-5-yl)methylene]-4-piperidyl] ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=NN=NN2CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=NN=NN2CC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H21N5O2S/c1-12(23)25-16-7-8-18-10-14(16)9-17-19-20-21-22(17)11-13-3-5-15(24-2)6-4-13/h3-6,9,16,18H,7-8,10-11H2,1-2H3/b14-9-