3-[4-(oxolan-2-ylmethyl)-1-[(4-phenethylpiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(oxolan-2-ylmethyl)-1-[(4-phenethylpiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[(4-phenethyl-1-piperidyl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-oxolanylmethyl)-1-[(4-phenethyl-1-piperidinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(oxolan-2-ylmethyl)-1-[(4-phenethylpiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(4-phenethylpiperidino)methyl]-4-(tetrahydrofurfuryl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C24H35N5O2S MolecularWeight: 457.632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN(C2=S)CN3CCC(CC3)CCC4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=NN(C2=S)CN3CCC(CC3)CCC4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C24H35N5O2S/c25-22(30)10-11-23-26-29(24(32)28(23)17-21-7-4-16-31-21)18-27-14-12-20(13-15-27)9-8-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2,(H2,25,30)