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

Systemtic Name: 7-bromanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C16H10BrN3O2S2 MolecularWeight: 420.3035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C16H10BrN3O2S2/c17-10-3-4-11-9(6-14(21)22-12(11)7-10)8-24-16-18-15(19-20-16)13-2-1-5-23-13/h1-7H,8H2,(H,18,19,20)