2-chloranyl-7,8-dimethyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=NC=C4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=NC=C4)Cl)C

InChI

InChI=1S/C20H18ClN5S/c1-12-4-5-15-10-16(18(21)23-17(15)13(12)2)11-27-20-25-24-19(26(20)3)14-6-8-22-9-7-14/h4-10H,11H2,1-3H3