2-ethyl-4-[4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]-2H-furan-5-one

Systemtic Name: 2-ethyl-4-[4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]-2H-furan-5-one Openeye Name: 4-[4-(5-benzylsulfanyltetrazol-1-yl)phenyl]-2-ethyl-2H-furan-5-one CAS Name: 2-ethyl-4-[4-[5-(phenylmethylthio)-1-tetrazolyl]phenyl]-2H-furan-5-one IUPAC Name: 4-[4-(5-benzylsulfanyltetrazol-1-yl)phenyl]-2-ethyl-2H-furan-5-one Traditional Name: 4-[4-[5-(benzylthio)tetrazol-1-yl]phenyl]-2-ethyl-2H-furan-5-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(=O)O1)C2=CC=C(C=C2)N3C(=NN=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1C=C(C(=O)O1)C2=CC=C(C=C2)N3C(=NN=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-2-17-12-18(19(25)26-17)15-8-10-16(11-9-15)24-20(21-22-23-24)27-13-14-6-4-3-5-7-14/h3-12,17H,2,13H2,1H3