2-chloranyl-7-methoxy-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7-methoxy-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7-methoxy-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7-methoxy-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7-methoxy-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7-methoxy-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4OS/c1-25-19(13-6-4-3-5-7-13)23-24-20(25)27-12-15-10-14-8-9-16(26-2)11-17(14)22-18(15)21/h3-11H,12H2,1-2H3