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

Systemtic Name: 2-[2,5-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)thio]indol-1-yl]acetic acid Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=NN=CN3C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=NN=CN3C)C)CC(=O)O

InChI

InChI=1S/C15H16N4O2S/c1-9-4-5-12-11(6-9)14(10(2)19(12)7-13(20)21)22-15-17-16-8-18(15)3/h4-6,8H,7H2,1-3H3,(H,20,21)