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

Systemtic Name: 8-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 8-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 8-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 8-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 8-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C18H14N4S/c1-2-9-16(10-3-1)22-13-20-18(21-22)23-12-15-7-4-6-14-8-5-11-19-17(14)15/h1-11,13H,12H2