5-(2,5-dimethylpyrrol-1-yl)-3-methylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)-3-methylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)-3-methylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-3-(methylthio)-1H-1,2,4-triazole IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-3-methylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-3-(methylthio)-1H-1,2,4-triazole Formula: C9H12N4S MolecularWeight: 208.28338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC(=NN2)SC)C

Isomeric SMILES

CC1=CC=C(N1C2=NC(=NN2)SC)C

InChI

InChI=1S/C9H12N4S/c1-6-4-5-7(2)13(6)8-10-9(14-3)12-11-8/h4-5H,1-3H3,(H,10,11,12)