3-chloranyl-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline

Systemtic Name: 3-chloranyl-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC4=CC=CO4)C(C)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC4=CC=CO4)C(C)C)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-13(2)20-24-25-21(26(20)11-15-7-6-10-27-15)28-12-18-19(22)14(3)16-8-4-5-9-17(16)23-18/h4-10,13H,11-12H2,1-3H3