7-bromanyl-4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

InChI

InChI=1S/C20H16BrN3O3S/c21-14-5-6-16-13(8-18(25)27-17(16)9-14)11-28-20-23-22-19(12-3-4-12)24(20)10-15-2-1-7-26-15/h1-2,5-9,12H,3-4,10-11H2