1-[3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea

Systemtic Name: 1-[3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea Openeye Name: [3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea CAS Name: [3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea IUPAC Name: [3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea Traditional Name: [3-(4-nitrophenyl)-1-phenyl-2H-1,2,4-triazepin-1-ium-6-yl]thiourea Formula: C17H15N6O2S+ MolecularWeight: 367.405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CC(=CN=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CC(=CN=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=S)N

InChI

InChI=1S/C17H14N6O2S/c18-17(26)20-13-10-19-16(12-6-8-15(9-7-12)23(24)25)21-22(11-13)14-4-2-1-3-5-14/h1-11H,(H3,18,20,26)/p+1