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

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C19H15ClN4S2 MolecularWeight: 398.9322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H15ClN4S2/c1-25-15-8-7-13-9-14(17(20)21-16(13)10-15)11-26-19-22-18(23-24-19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,23,24)