1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CN1C=NN=C1SCC2=NC=CC3=CC=CC=C32

InChI

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