2-[(E,3E)-3-(4-tert-butylthiochromen-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium

Systemtic Name: 2-[(E,3E)-3-(4-tert-butylthiochromen-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium Openeye Name: 2-[(E,3E)-3-(4-tert-butylthiochromen-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium CAS Name: 2-[(E,3E)-3-(4-tert-butyl-1-benzothiopyran-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium IUPAC Name: 2-[(E,3E)-3-(4-tert-butylthiochromen-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium Traditional Name: 2-[(E,3E)-3-(4-tert-butylthiochromen-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-indol-1-ium Formula: C27H30NS+ MolecularWeight: 400.5988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C=C(C4=CC=CC=C4S3)C(C)(C)C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/3\C=C(C4=CC=CC=C4S3)C(C)(C)C)C)C

InChI

InChI=1S/C27H30NS/c1-26(2,3)22-18-19(29-24-16-10-7-13-20(22)24)12-11-17-25-27(4,5)21-14-8-9-15-23(21)28(25)6/h7-18H,1-6H3/q+1/b17-11+,19-12+