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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[1-(2-thienylmethyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[1-(2-thenyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=CS4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=CS4)O

InChI

InChI=1S/C18H16N4O3S2/c1-2-11-6-14-12(7-17(24)25-16(14)8-15(11)23)10-27-18-19-20-21-22(18)9-13-4-3-5-26-13/h3-8,23H,2,9-10H2,1H3