3-azanyl-4-[(Z)-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)methyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[(Z)-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)methyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[(Z)-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)methyl]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[(Z)-(2,6-ditert-butyl-3-mercapto-4-pyranylidene)methyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[(Z)-(2,6-ditert-butyl-3-sulfanylpyran-4-ylidene)methyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[(Z)-(2,6-ditert-butyl-3-mercapto-pyran-4-ylidene)methyl]cyclobut-3-ene-1,2-quinone Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=C(C(=O)C2=O)N)C(=C(O1)C(C)(C)C)S

Isomeric SMILES

CC(C)(C)C1=C/C(=C/C2=C(C(=O)C2=O)N)/C(=C(O1)C(C)(C)C)S

InChI

InChI=1S/C18H23NO3S/c1-17(2,3)11-8-9(7-10-12(19)14(21)13(10)20)15(23)16(22-11)18(4,5)6/h7-8,23H,19H2,1-6H3/b9-7-