4-[1-(3-azanylpropyl)-2-(1-benzothiophen-2-yl)indol-3-yl]-2,5-bis(oxidanylidene)pyrrole-3-carbonitrile

Systemtic Name: 4-[1-(3-azanylpropyl)-2-(1-benzothiophen-2-yl)indol-3-yl]-2,5-bis(oxidanylidene)pyrrole-3-carbonitrile Openeye Name: 4-[1-(3-aminopropyl)-2-(benzothiophen-2-yl)indol-3-yl]-2,5-dioxo-pyrrole-3-carbonitrile CAS Name: 4-[1-(3-aminopropyl)-2-(1-benzothiophen-2-yl)-3-indolyl]-2,5-dioxo-3-pyrrolecarbonitrile IUPAC Name: 4-[1-(3-aminopropyl)-2-(1-benzothiophen-2-yl)indol-3-yl]-2,5-dioxopyrrole-3-carbonitrile Traditional Name: 4-[1-(3-aminopropyl)-2-(benzothiophen-2-yl)indol-3-yl]-2,5-diketo-3-pyrroline-3-carbonitrile Formula: C24H18N4O2S MolecularWeight: 426.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=CC=CC=C4N3CCCN)C5=C(C(=O)NC5=O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=CC=CC=C4N3CCCN)C5=C(C(=O)NC5=O)C#N

InChI

InChI=1S/C24H18N4O2S/c25-10-5-11-28-17-8-3-2-7-15(17)20(21-16(13-26)23(29)27-24(21)30)22(28)19-12-14-6-1-4-9-18(14)31-19/h1-4,6-9,12H,5,10-11,25H2,(H,27,29,30)