5-chloranyl-8-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 5-chloro-8-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C21H17ClN4S/c22-18-11-10-15(19-17(18)7-4-12-23-19)13-27-21-25-24-20(14-8-9-14)26(21)16-5-2-1-3-6-16/h1-7,10-12,14H,8-9,13H2