4-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide Openeye Name: 4-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide CAS Name: 4-[[[5-cyano-4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]methyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide Traditional Name: 4-[[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]methyl]-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide Formula: C30H23N5O3S4 MolecularWeight: 629.79532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC=C(C=C3)CSC4=NC(=O)C(=C(N4)C5=CC=C(S5)C6=CC=CS6)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC=C(C=C3)CSC4=NC(=O)C(=C(N4)C5=CC=C(S5)C6=CC=CS6)C#N

InChI

InChI=1S/C30H23N5O3S4/c31-16-23-28(27-12-11-26(41-27)25-6-3-15-39-25)34-30(35-29(23)36)40-18-19-7-9-21(10-8-19)42(37,38)33-14-13-20-17-32-24-5-2-1-4-22(20)24/h1-12,15,17,32-33H,13-14,18H2,(H,34,35,36)