2-[4-[[4-[[4-methyl-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-propoxy-phenyl]methylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-[[4-methyl-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-propoxy-phenyl]methylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-[[4-methyl-5-(3-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-propoxy-phenyl]methylamino]phenyl]acetic acid CAS Name: 2-[4-[[4-[[4-methyl-5-(3-thiophenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propoxyphenyl]methylamino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-[[4-methyl-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-propoxyphenyl]methylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-[[4-methyl-5-(3-thenyl)-1,2,4-triazol-3-yl]thio]-2-propoxy-benzyl]amino]phenyl]acetic acid Formula: C26H28N4O3S2 MolecularWeight: 508.65552

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)SC2=NN=C(N2C)CC3=CSC=C3)CNC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)SC2=NN=C(N2C)CC3=CSC=C3)CNC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H28N4O3S2/c1-3-11-33-23-15-22(35-26-29-28-24(30(26)2)13-19-10-12-34-17-19)9-6-20(23)16-27-21-7-4-18(5-8-21)14-25(31)32/h4-10,12,15,17,27H,3,11,13-14,16H2,1-2H3,(H,31,32)