[1-[(Z)-2,3-dimethyl-4-phenylsulfanyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone

Systemtic Name: [1-[(Z)-2,3-dimethyl-4-phenylsulfanyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone Openeye Name: [1-[(Z)-2,3-dimethyl-4-phenylsulfanyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone CAS Name: [1-[(Z)-2,3-dimethyl-4-(phenylthio)but-2-enyl]-1H-2-benzothiopyran-3-yl]-phenylmethanone IUPAC Name: [1-[(Z)-2,3-dimethyl-4-phenylsulfanylbut-2-enyl]-1H-isothiochromen-3-yl]-phenylmethanone Traditional Name: [1-[(Z)-2,3-dimethyl-4-(phenylthio)but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone Formula: C28H26OS2 MolecularWeight: 442.63544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CSC1=CC=CC=C1)CC2C3=CC=CC=C3C=C(S2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C/C(=C(\C)/CSC1=CC=CC=C1)/CC2C3=CC=CC=C3C=C(S2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26OS2/c1-20(21(2)19-30-24-14-7-4-8-15-24)17-26-25-16-10-9-13-23(25)18-27(31-26)28(29)22-11-5-3-6-12-22/h3-16,18,26H,17,19H2,1-2H3/b21-20-