1-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]thiourea Openeye Name: [(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]thiourea CAS Name: [(E)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]thiourea IUPAC Name: [(E)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea Traditional Name: [(E)-(5-nitro-2-pyrrolidino-benzylidene)amino]thiourea Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=S)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=S)N

InChI

InChI=1S/C12H15N5O2S/c13-12(20)15-14-8-9-7-10(17(18)19)3-4-11(9)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6H2,(H3,13,15,20)/b14-8+