4-methyl-1-phenyl-4-[[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenoxy]methoxymethyl]pyrazolidin-3-one

Systemtic Name: 4-methyl-1-phenyl-4-[[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenoxy]methoxymethyl]pyrazolidin-3-one Openeye Name: 4-methyl-1-phenyl-4-[[4-(5-thioxo-2H-tetrazol-1-yl)phenoxy]methoxymethyl]pyrazolidin-3-one CAS Name: 4-methyl-1-phenyl-4-[[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenoxy]methoxymethyl]-3-pyrazolidinone IUPAC Name: 4-methyl-1-phenyl-4-[[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenoxy]methoxymethyl]pyrazolidin-3-one Traditional Name: 4-methyl-1-phenyl-4-[[4-(5-thioxo-2H-tetrazol-1-yl)phenoxy]methoxymethyl]pyrazolidin-3-one Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)COCOC3=CC=C(C=C3)N4C(=S)N=NN4

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)COCOC3=CC=C(C=C3)N4C(=S)N=NN4

InChI

InChI=1S/C19H20N6O3S/c1-19(11-24(21-17(19)26)14-5-3-2-4-6-14)12-27-13-28-16-9-7-15(8-10-16)25-18(29)20-22-23-25/h2-10H,11-13H2,1H3,(H,21,26)(H,20,23,29)