(Z)-4-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-4-ethylsulfanyl-but-3-en-2-one

Systemtic Name: (Z)-4-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-4-ethylsulfanyl-but-3-en-2-one Openeye Name: (Z)-4-(1-benzyl-5-bromo-indol-3-yl)-4-ethylsulfanyl-but-3-en-2-one CAS Name: (Z)-4-[5-bromo-1-(phenylmethyl)-3-indolyl]-4-(ethylthio)-3-buten-2-one IUPAC Name: (Z)-4-(1-benzyl-5-bromoindol-3-yl)-4-ethylsulfanylbut-3-en-2-one Traditional Name: (Z)-4-(1-benzyl-5-bromo-indol-3-yl)-4-(ethylthio)but-3-en-2-one Formula: C21H20BrNOS MolecularWeight: 414.3586

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=CC(=O)C)C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CCS/C(=C\C(=O)C)/C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H20BrNOS/c1-3-25-21(11-15(2)24)19-14-23(13-16-7-5-4-6-8-16)20-10-9-17(22)12-18(19)20/h4-12,14H,3,13H2,1-2H3/b21-11-