(E)-4-(3-phenylsulfanyl-1H-indol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3-phenylsulfanyl-1H-indol-2-yl)but-3-en-2-one Openeye Name: (E)-4-(3-phenylsulfanyl-1H-indol-2-yl)but-3-en-2-one CAS Name: (E)-4-[3-(phenylthio)-1H-indol-2-yl]-3-buten-2-one IUPAC Name: (E)-4-(3-phenylsulfanyl-1H-indol-2-yl)but-3-en-2-one Traditional Name: (E)-4-[3-(phenylthio)-1H-indol-2-yl]but-3-en-2-one Formula: C18H15NOS MolecularWeight: 293.3828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)/C=C/C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

InChI

InChI=1S/C18H15NOS/c1-13(20)11-12-17-18(21-14-7-3-2-4-8-14)15-9-5-6-10-16(15)19-17/h2-12,19H,1H3/b12-11+