N-[(E)-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: N-[(E)-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine Openeye Name: N-[(E)-[5-nitro-2-(2-pyridylsulfanyl)phenyl]methyleneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine CAS Name: N-[(E)-[5-nitro-2-(2-pyridinylthio)phenyl]methylideneamino]-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine IUPAC Name: N-[(E)-(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine Traditional Name: (4,6-dipyrrolidino-s-triazin-2-yl)-[(E)-[5-nitro-2-(2-pyridylthio)benzylidene]amino]amine Formula: C23H25N9O2S MolecularWeight: 491.5687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=N4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=N4)N5CCCC5

InChI

InChI=1S/C23H25N9O2S/c33-32(34)18-8-9-19(35-20-7-1-2-10-24-20)17(15-18)16-25-29-21-26-22(30-11-3-4-12-30)28-23(27-21)31-13-5-6-14-31/h1-2,7-10,15-16H,3-6,11-14H2,(H,26,27,28,29)/b25-16+