1-[(Z)-1-isocyano-2,3,4-tris(propan-2-ylsulfanyl)but-2-enyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(Z)-1-isocyano-2,3,4-tris(propan-2-ylsulfanyl)but-2-enyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(Z)-1-isocyano-2,3,4-tris(isopropylsulfanyl)but-2-enyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(Z)-1-isocyano-2,3,4-tris(propan-2-ylthio)but-2-enyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(Z)-1-isocyano-2,3,4-tris(propan-2-ylsulfanyl)but-2-enyl]sulfonyl-4-methylbenzene Traditional Name: 1-[(Z)-1-isocyano-2,3,4-tris(isopropylthio)but-2-enyl]sulfonyl-4-methyl-benzene Formula: C21H31NO2S4 MolecularWeight: 457.73634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=C(CSC(C)C)SC(C)C)SC(C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(/C(=C(\CSC(C)C)/SC(C)C)/SC(C)C)[N+]#[C-]

InChI

InChI=1S/C21H31NO2S4/c1-14(2)25-13-19(26-15(3)4)20(27-16(5)6)21(22-8)28(23,24)18-11-9-17(7)10-12-18/h9-12,14-16,21H,13H2,1-7H3/b20-19-