1-[2-(2-cyanophenyl)sulfanylphenyl]-3-(4-nitro-2-oxidanyl-phenyl)urea

Systemtic Name: 1-[2-(2-cyanophenyl)sulfanylphenyl]-3-(4-nitro-2-oxidanyl-phenyl)urea Openeye Name: 1-[2-(2-cyanophenyl)sulfanylphenyl]-3-(2-hydroxy-4-nitro-phenyl)urea CAS Name: 1-[2-[(2-cyanophenyl)thio]phenyl]-3-(2-hydroxy-4-nitrophenyl)urea IUPAC Name: 1-[2-(2-cyanophenyl)sulfanylphenyl]-3-(2-hydroxy-4-nitrophenyl)urea Traditional Name: 1-[2-[(2-cyanophenyl)thio]phenyl]-3-(2-hydroxy-4-nitro-phenyl)urea Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H14N4O4S/c21-12-13-5-1-3-7-18(13)29-19-8-4-2-6-16(19)23-20(26)22-15-10-9-14(24(27)28)11-17(15)25/h1-11,25H,(H2,22,23,26)