2-chloranyl-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C22H20ClN5S MolecularWeight: 421.9457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl)C

InChI

InChI=1S/C22H20ClN5S/c1-13-3-4-16-11-17(20(23)25-19(16)14(13)2)12-29-22-27-26-21(28(22)18-5-6-18)15-7-9-24-10-8-15/h3-4,7-11,18H,5-6,12H2,1-2H3