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

Systemtic Name: 7-oxidanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C16H11N3O3S2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S2/c20-10-3-4-11-9(6-14(21)22-12(11)7-10)8-24-16-17-15(18-19-16)13-2-1-5-23-13/h1-7,20H,8H2,(H,17,18,19)