(E)-3-[1-(methylsulfanylmethyl)indol-3-yl]-1-pyren-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[1-(methylsulfanylmethyl)indol-3-yl]-1-pyren-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[1-(methylsulfanylmethyl)indol-3-yl]-1-pyren-1-yl-prop-2-en-1-one CAS Name: (E)-3-[1-[(methylthio)methyl]-3-indolyl]-1-(1-pyrenyl)-2-propen-1-one IUPAC Name: (E)-3-[1-(methylsulfanylmethyl)indol-3-yl]-1-pyren-1-ylprop-2-en-1-one Traditional Name: (E)-3-[1-[(methylthio)methyl]indol-3-yl]-1-pyren-1-yl-prop-2-en-1-one Formula: C29H21NOS MolecularWeight: 431.54814

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Descriptors Computed from Structure

Canonical SMILES:

CSCN1C=C(C2=CC=CC=C21)C=CC(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CSCN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H21NOS/c1-32-18-30-17-22(23-7-2-3-8-26(23)30)13-16-27(31)24-14-11-21-10-9-19-5-4-6-20-12-15-25(24)29(21)28(19)20/h2-17H,18H2,1H3/b16-13+