(6Z)-4-ethyl-6-[4-(7-methoxy-2-methyl-1-benzofuran-4-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-6-[4-(7-methoxy-2-methyl-1-benzofuran-4-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(7-methoxy-2-methyl-benzofuran-4-yl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(7-methoxy-2-methyl-4-benzofuranyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(7-methoxy-2-methyl-1-benzofuran-4-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(7-methoxy-2-methyl-benzofuran-4-yl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2NNC(=S)N2C3=C4C=C(OC4=C(C=C3)OC)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C\2/NNC(=S)N2C3=C4C=C(OC4=C(C=C3)OC)C)/C(=O)C=C1O

InChI

InChI=1S/C20H19N3O4S/c1-4-11-8-13(16(25)9-15(11)24)19-21-22-20(28)23(19)14-5-6-17(26-3)18-12(14)7-10(2)27-18/h5-9,21,24H,4H2,1-3H3,(H,22,28)/b19-13+