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

Systemtic Name: 2-chloranyl-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H16ClN5S MolecularWeight: 393.89254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=CC=CC=C4N=C3Cl)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=CC=CC=C4N=C3Cl)C5=CN=CC=C5

InChI

InChI=1S/C20H16ClN5S/c21-18-15(10-13-4-1-2-6-17(13)23-18)12-27-20-25-24-19(26(20)16-7-8-16)14-5-3-9-22-11-14/h1-6,9-11,16H,7-8,12H2