2-[[4-[(E)-2-(2,6-ditert-butylpyrylium-4-yl)sulfanylethenyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 2-[[4-[(E)-2-(2,6-ditert-butylpyrylium-4-yl)sulfanylethenyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 2-[4-[(E)-2-(2,6-ditert-butylpyrylium-4-yl)sulfanylvinyl]-N-methyl-anilino]propanenitrile CAS Name: 2-[4-[(E)-2-[(2,6-ditert-butyl-4-pyryliumyl)thio]ethenyl]-N-methylanilino]propanenitrile IUPAC Name: 2-[4-[(E)-2-(2,6-ditert-butylpyrylium-4-yl)sulfanylethenyl]-N-methylanilino]propanenitrile Traditional Name: 2-[4-[(E)-2-[(2,6-ditert-butylpyrylium-4-yl)thio]vinyl]-N-methyl-anilino]propionitrile Formula: C25H33N2OS+ MolecularWeight: 409.60732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N(C)C1=CC=C(C=C1)C=CSC2=CC(=[O+]C(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C#N)N(C)C1=CC=C(C=C1)/C=C/SC2=CC(=[O+]C(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H33N2OS/c1-18(17-26)27(8)20-11-9-19(10-12-20)13-14-29-21-15-22(24(2,3)4)28-23(16-21)25(5,6)7/h9-16,18H,1-8H3/q+1/b14-13+