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

Systemtic Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-[[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-[[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C26H22N4S MolecularWeight: 422.54468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H22N4S/c1-3-9-20(10-4-1)17-25-28-29-26(30(25)18-21-11-5-2-6-12-21)31-19-23-16-15-22-13-7-8-14-24(22)27-23/h1-16H,17-19H2