8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 8-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 8-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C13H12N4S/c1-9-15-13(17-16-9)18-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7H,8H2,1H3,(H,15,16,17)