N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(5-nitro-2-pyrrolidino-benzylidene)amino]amine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5O2S/c24-23(25)14-7-8-16(22-9-3-4-10-22)13(11-14)12-19-21-18-20-15-5-1-2-6-17(15)26-18/h1-2,5-8,11-12H,3-4,9-10H2,(H,20,21)/b19-12+