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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4OS/c1-11-5-6-14-9-15(18(21)22-17(14)12(11)2)10-27-20-24-23-19(25(20)4)16-7-8-26-13(16)3/h5-9H,10H2,1-4H3