1-[(E)-[1-(5-nitroquinolin-6-yl)pyrrol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-(5-nitroquinolin-6-yl)pyrrol-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(5-nitro-6-quinolyl)pyrrol-2-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(5-nitro-6-quinolinyl)-2-pyrrolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(5-nitroquinolin-6-yl)pyrrol-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(5-nitro-6-quinolyl)pyrrol-2-yl]methyleneamino]thiourea Formula: C15H12N6O2S MolecularWeight: 340.35978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2[N+](=O)[O-])N3C=CC=C3C=NNC(=S)N)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2[N+](=O)[O-])N3C=CC=C3/C=N/NC(=S)N)N=C1

InChI

InChI=1S/C15H12N6O2S/c16-15(24)19-18-9-10-3-2-8-20(10)13-6-5-12-11(4-1-7-17-12)14(13)21(22)23/h1-9H,(H3,16,19,24)/b18-9+