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

Systemtic Name: 7-bromanyl-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H14BrN3O2S2 MolecularWeight: 448.35666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CS4

InChI

InChI=1S/C18H14BrN3O2S2/c1-2-22-17(15-4-3-7-25-15)20-21-18(22)26-10-11-8-16(23)24-14-9-12(19)5-6-13(11)14/h3-9H,2,10H2,1H3