2-[(Z)-1-(2,6-diphenylthiopyran-4-ylidene)pent-2-en-3-yl]-1,3,3-trimethyl-indol-1-ium

Systemtic Name: 2-[(Z)-1-(2,6-diphenylthiopyran-4-ylidene)pent-2-en-3-yl]-1,3,3-trimethyl-indol-1-ium Openeye Name: 2-[(Z)-3-(2,6-diphenylthiopyran-4-ylidene)-1-ethyl-prop-1-enyl]-1,3,3-trimethyl-indol-1-ium CAS Name: 2-[(Z)-1-(2,6-diphenyl-4-thiopyranylidene)pent-2-en-3-yl]-1,3,3-trimethylindol-1-ium IUPAC Name: 2-[(Z)-1-(2,6-diphenylthiopyran-4-ylidene)pent-2-en-3-yl]-1,3,3-trimethylindol-1-ium Traditional Name: 2-[(Z)-3-(2,6-diphenylthiopyran-4-ylidene)-1-ethyl-prop-1-enyl]-1,3,3-trimethyl-indol-1-ium Formula: C33H32NS+ MolecularWeight: 474.67888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC=C1C=C(SC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=[N+](C5=CC=CC=C5C4(C)C)C

Isomeric SMILES

CC/C(=C/C=C1C=C(SC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)/C4=[N+](C5=CC=CC=C5C4(C)C)C

InChI

InChI=1S/C33H32NS/c1-5-25(32-33(2,3)28-18-12-13-19-29(28)34(32)4)21-20-24-22-30(26-14-8-6-9-15-26)35-31(23-24)27-16-10-7-11-17-27/h6-23H,5H2,1-4H3/q+1/b25-21-