(Z)-2-isocyano-1-phenyl-3,4,5-tris(propan-2-ylsulfanyl)pent-3-en-1-one

Systemtic Name: (Z)-2-isocyano-1-phenyl-3,4,5-tris(propan-2-ylsulfanyl)pent-3-en-1-one Openeye Name: (Z)-2-isocyano-3,4,5-tris(isopropylsulfanyl)-1-phenyl-pent-3-en-1-one CAS Name: (Z)-2-isocyano-1-phenyl-3,4,5-tris(propan-2-ylthio)-3-penten-1-one IUPAC Name: (Z)-2-isocyano-1-phenyl-3,4,5-tris(propan-2-ylsulfanyl)pent-3-en-1-one Traditional Name: (Z)-2-isocyano-3,4,5-tris(isopropylthio)-1-phenyl-pent-3-en-1-one Formula: C21H29NOS3 MolecularWeight: 407.65606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=C(C(C(=O)C1=CC=CC=C1)[N+]#[C-])SC(C)C)SC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NOS3/c1-14(2)24-13-18(25-15(3)4)21(26-16(5)6)19(22-7)20(23)17-11-9-8-10-12-17/h8-12,14-16,19H,13H2,1-6H3/b21-18-