1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea

Systemtic Name: 1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Openeye Name: 1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea CAS Name: 1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea IUPAC Name: 1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Traditional Name: 1-(4-cyanophenyl)-3-(4-nitrophenyl)-1,3-dinosyl-thiourea Formula: C26H16N6O10S3 MolecularWeight: 668.63444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H16N6O10S3/c27-17-18-1-3-19(4-2-18)28(44(39,40)24-13-9-22(10-14-24)31(35)36)26(43)29(20-5-7-21(8-6-20)30(33)34)45(41,42)25-15-11-23(12-16-25)32(37)38/h1-16H