4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)methyl]-6-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)methyl]-6-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)methyl]-6-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one CAS Name: 4-[(5-tert-butyl-2-methyl-3-pyrazolyl)methyl]-6-[(E)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[(5-tert-butyl-2-methylpyrazol-3-yl)methyl]-6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)methyl]-6-[(E)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)CN2C(=O)COC3=C2C=C(C=C3)C=C4C(=O)NC(=S)S4)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)CN2C(=O)COC3=C2C=C(C=C3)/C=C/4\C(=O)NC(=S)S4)C

InChI

InChI=1S/C21H22N4O3S2/c1-21(2,3)17-9-13(24(4)23-17)10-25-14-7-12(5-6-15(14)28-11-18(25)26)8-16-19(27)22-20(29)30-16/h5-9H,10-11H2,1-4H3,(H,22,27,29)/b16-8+