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

Systemtic Name: 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-[[(2-butyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-[[(2-butyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC=N1)SCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN1C(=NC=N1)SCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H18N4S/c1-2-3-10-20-16(17-12-18-20)21-11-14-9-8-13-6-4-5-7-15(13)19-14/h4-9,12H,2-3,10-11H2,1H3