3-[2-(1H-inden-2-yl)ethanoyl]-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbonitrile

Systemtic Name: 3-[2-(1H-inden-2-yl)ethanoyl]-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbonitrile Openeye Name: 3-[2-(1H-inden-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-thioxo-pyrrolidine-2-carbonitrile CAS Name: 3-[2-(1H-inden-2-yl)-1-oxoethyl]-1-[oxo(2-pyrrolidinyl)methyl]-4-sulfanylidene-2-pyrrolidinecarbonitrile IUPAC Name: 3-[2-(1H-inden-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-sulfanylidenepyrrolidine-2-carbonitrile Traditional Name: 3-[2-(1H-inden-2-yl)acetyl]-1-prolyl-4-thioxo-pyrrolidine-2-carbonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C#N)C(=O)CC3=CC4=CC=CC=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C#N)C(=O)CC3=CC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3O2S/c22-11-17-20(19(27)12-24(17)21(26)16-6-3-7-23-16)18(25)10-13-8-14-4-1-2-5-15(14)9-13/h1-2,4-5,8,16-17,20,23H,3,6-7,9-10,12H2