4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=CO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=CO4)C

InChI

InChI=1S/C18H16N4O3S/c1-11-5-6-15-13(8-16(23)25-17(15)12(11)2)10-26-18-19-20-21-22(18)9-14-4-3-7-24-14/h3-8H,9-10H2,1-2H3