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

Systemtic Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)O

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)O

InChI

InChI=1S/C13H12N4O2S/c1-17-12(15-16-13(17)20-7-11(18)19)9-6-14-10-5-3-2-4-8(9)10/h2-6,15H,7H2,1H3,(H,18,19)