3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]butanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylthio]-1H-1,2,4-triazol-5-yl]butanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]butanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylthio]-1H-1,2,4-triazol-5-yl]butyric acid Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCSC3=NNC(=N3)CC(CC(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCSC3=NNC(=N3)CC(CC(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O4S/c29-21(30)12-16(15-4-6-18-19(10-15)32-13-31-18)11-20-26-23(28-27-20)33-9-7-17-5-3-14-2-1-8-24-22(14)25-17/h3-6,10,16H,1-2,7-9,11-13H2,(H,24,25)(H,29,30)(H,26,27,28)