N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidinosulfonyl-benzamide Formula: C25H30FN5O3S2 MolecularWeight: 531.665803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30FN5O3S2/c1-2-3-17-35-25-29-28-23(31(25)21-11-9-20(26)10-12-21)18-27-24(32)19-7-13-22(14-8-19)36(33,34)30-15-5-4-6-16-30/h7-14H,2-6,15-18H2,1H3,(H,27,32)