2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C18H18N4S MolecularWeight: 322.42732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C18H18N4S/c1-2-4-16-12(3-1)7-8-14(19-16)11-23-18-21-20-17(13-5-6-13)22(18)15-9-10-15/h1-4,7-8,13,15H,5-6,9-11H2