7-bromanyl-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-coumarin Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-3-7-24-19(15-6-8-26-12(15)2)22-23-20(24)28-11-13-9-18(25)27-17-10-14(21)4-5-16(13)17/h3-6,8-10H,1,7,11H2,2H3