8-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H18N4S2 MolecularWeight: 378.51372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C20H18N4S2/c1-4-14-6-2-10-21-19(14)15(5-1)13-26-20-23-22-18(24(20)16-8-9-16)12-17-7-3-11-25-17/h1-7,10-11,16H,8-9,12-13H2