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

Systemtic Name: 2-chloranyl-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-(methylthio)quinoline Formula: C21H18ClN5S2 MolecularWeight: 439.98412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5)Cl

InChI

InChI=1S/C21H18ClN5S2/c1-28-17-7-4-13-9-15(19(22)24-18(13)10-17)12-29-21-26-25-20(27(21)16-5-6-16)14-3-2-8-23-11-14/h2-4,7-11,16H,5-6,12H2,1H3