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

Systemtic Name: 3-chloranyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C21H18ClN5S/c1-13-16-4-2-3-5-17(16)24-18(19(13)22)12-28-21-26-25-20(27(21)15-6-7-15)14-8-10-23-11-9-14/h2-5,8-11,15H,6-7,12H2,1H3