4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CC4)O

InChI

InChI=1S/C16H16N4O3S/c1-2-9-5-12-10(6-15(22)23-14(12)7-13(9)21)8-24-16-17-18-19-20(16)11-3-4-11/h5-7,11,21H,2-4,8H2,1H3