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

Systemtic Name: 2-chloranyl-3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-quinoline CAS Name: 2-chloro-3-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloroquinoline Traditional Name: 3-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-chloro-quinoline Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4S/c1-25-18(11-14-7-3-2-4-8-14)23-24-20(25)26-13-16-12-15-9-5-6-10-17(15)22-19(16)21/h2-10,12H,11,13H2,1H3