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

Systemtic Name: 2-chloranyl-7-methyl-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloro-7-methyl-quinoline CAS Name: 2-chloro-7-methyl-3-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-7-methylquinoline Traditional Name: 3-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-chloro-7-methyl-quinoline Formula: C25H20ClN5S MolecularWeight: 457.9778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C25H20ClN5S/c1-17-7-8-20-14-21(23(26)28-22(20)13-17)16-32-25-30-29-24(19-9-11-27-12-10-19)31(25)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3