5-chloranyl-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 5-chloro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C23H16ClN5S MolecularWeight: 429.92464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

InChI

InChI=1S/C23H16ClN5S/c24-20-9-8-17(21-19(20)7-4-12-26-21)15-30-23-28-27-22(16-10-13-25-14-11-16)29(23)18-5-2-1-3-6-18/h1-14H,15H2