2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylthio)-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-(1H-1,2,4-triazol-5-ylthio)indol-1-yl]acetic acid Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=NC=NN3)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=NC=NN3)C)CC(=O)O

InChI

InChI=1S/C14H14N4O2S/c1-8-3-4-11-10(5-8)13(21-14-15-7-16-17-14)9(2)18(11)6-12(19)20/h3-5,7H,6H2,1-2H3,(H,19,20)(H,15,16,17)