3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]coumarin Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CN1C=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H11N3O3S/c1-17-8-15-16-14(17)21-7-11(18)10-6-9-4-2-3-5-12(9)20-13(10)19/h2-6,8H,7H2,1H3