3-chloranyl-4-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 3-chloranyl-4-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-chloro-4-methyl-quinoline CAS Name: 3-chloro-4-methyl-2-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-chloro-4-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-3-chloro-4-methyl-quinoline Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-4-10-26-20(16-9-11-27-14(16)3)24-25-21(26)28-12-18-19(22)13(2)15-7-5-6-8-17(15)23-18/h4-9,11H,1,10,12H2,2-3H3