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

Systemtic Name: 2-chloranyl-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline Openeye Name: 2-chloro-3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-quinoline CAS Name: 2-chloro-3-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methylquinoline IUPAC Name: 2-chloro-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylquinoline Traditional Name: 2-chloro-3-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-quinoline Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

InChI

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