(E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-bromo-5-phenylsulfanyl-2-furyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-[4-bromo-5-(phenylthio)-2-furanyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-bromo-5-phenylsulfanylfuran-2-yl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-bromo-5-(phenylthio)-2-furyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C23H16BrN3O2S2 MolecularWeight: 510.42604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC(=C(O3)SC4=CC=CC=C4)Br)C#N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC(=C(O3)SC4=CC=CC=C4)Br)/C#N)C#N

InChI

InChI=1S/C23H16BrN3O2S2/c24-19-11-15(29-23(19)30-16-6-2-1-3-7-16)10-14(12-25)21(28)27-22-18(13-26)17-8-4-5-9-20(17)31-22/h1-3,6-7,10-11H,4-5,8-9H2,(H,27,28)/b14-10+