N-(4-cyano-3-nitro-phenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide

Systemtic Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carboxamide CAS Name: N-(4-cyano-3-nitrophenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide IUPAC Name: N-(4-cyano-3-nitrophenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Traditional Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carboxamide Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC(=NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC(=NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3S/c21-12-14-7-9-16(11-18(14)25(27)28)22-19(26)17-10-15(23-20(29)24-17)8-6-13-4-2-1-3-5-13/h1-11H,(H,22,26)(H,23,24,29)/b8-6+