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

Systemtic Name: 3-chloranyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline Formula: C22H19ClN4S MolecularWeight: 406.93106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)Cl

InChI

InChI=1S/C22H19ClN4S/c1-14-17-9-5-6-10-18(17)24-19(20(14)23)13-28-22-26-25-21(15-11-12-15)27(22)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3