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

Systemtic Name: 2-chloranyl-3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-quinoline CAS Name: 2-chloro-3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloroquinoline Traditional Name: 3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-chloro-quinoline Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4S/c1-2-26-19(12-15-8-4-3-5-9-15)24-25-21(26)27-14-17-13-16-10-6-7-11-18(16)23-20(17)22/h3-11,13H,2,12,14H2,1H3