2-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4,6-dianilino-s-triazin-2-yl)thio]-1-pyrrolidino-ethanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS/c28-18(27-13-7-8-14-27)15-29-21-25-19(22-16-9-3-1-4-10-16)24-20(26-21)23-17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H2,22,23,24,25,26)