3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one CAS Name: 3-[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one Traditional Name: 3-[2-[(1-methyltetrazol-5-yl)thio]acetyl]coumarin Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C13H10N4O3S/c1-17-13(14-15-16-17)21-7-10(18)9-6-8-4-2-3-5-11(8)20-12(9)19/h2-6H,7H2,1H3