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

Systemtic Name: 2-chloranyl-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[(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=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=CC=CC=C5N=C4Cl

InChI

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