1-methyl-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]indole-2-carboxylic acid Traditional Name: 1-methyl-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methyl]indole-2-carboxylic acid Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=NC(=NN3)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=NC(=NN3)SC

InChI

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