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

Systemtic Name: 2-chloranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C18H13ClN4S MolecularWeight: 352.84062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C18H13ClN4S/c19-16-14(10-13-8-4-5-9-15(13)20-16)11-24-18-21-17(22-23-18)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,22,23)