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

Systemtic Name: 4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-coumarin Formula: C17H13BrN4O3S MolecularWeight: 433.27912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C17H13BrN4O3S/c1-9-12(4-5-24-9)16-20-21-17(22(16)19)26-8-10-6-15(23)25-14-7-11(18)2-3-13(10)14/h2-7H,8,19H2,1H3