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

Systemtic Name: 3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline Openeye Name: 3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline CAS Name: 3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]quinoline IUPAC Name: 3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline Traditional Name: 3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]quinoline Formula: C14H13ClN4S MolecularWeight: 304.79782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CCl)SC3=NNC(=N3)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CCl)SC3=NNC(=N3)C

InChI

InChI=1S/C14H13ClN4S/c1-8-11(7-15)13(20-14-17-9(2)18-19-14)10-5-3-4-6-12(10)16-8/h3-6H,7H2,1-2H3,(H,17,18,19)