1,3-bis(6-chloranylpyrazin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1,3-bis(6-chloranylpyrazin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea CAS Name: 1,3-bis(6-chloro-2-pyrazinyl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Formula: C22H12Cl2N8O2S MolecularWeight: 523.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=CN=CC(=N2)Cl)C(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC(=N4)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=CN=CC(=N2)Cl)C(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC(=N4)Cl

InChI

InChI=1S/C22H12Cl2N8O2S/c23-18-10-26-12-20(28-18)30(15-3-1-14(9-25)2-4-15)22(35)31(21-13-27-11-19(24)29-21)16-5-7-17(8-6-16)32(33)34/h1-8,10-13H