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

Systemtic Name: 8-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C18H13ClN4S MolecularWeight: 352.84062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)N=CC=C2

InChI

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