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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C18H14BrN3O2S2/c1-22-16(9-13-3-2-6-25-13)20-21-18(22)26-10-11-7-17(23)24-15-8-12(19)4-5-14(11)15/h2-8H,9-10H2,1H3