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

Systemtic Name: 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]quinoline CAS Name: 2-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 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]quinoline Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18N4OS/c1-3-11-24-19(17-10-12-25-14(17)2)22-23-20(24)26-13-16-9-8-15-6-4-5-7-18(15)21-16/h3-10,12H,1,11,13H2,2H3