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

Systemtic Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Openeye Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-styryl]-2-thioxo-hexahydropyrimidine-4-carboxamide CAS Name: N-(4-cyano-3-nitrophenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide IUPAC Name: N-(4-cyano-3-nitrophenyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Traditional Name: N-(4-cyano-3-nitro-phenyl)-6-[(E)-styryl]-2-thioxo-hexahydropyrimidine-4-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)NC1C(=O)NC2=CC(=C(C=C2)C#N)[N+](=O)[O-])C=CC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=S)NC1C(=O)NC2=CC(=C(C=C2)C#N)[N+](=O)[O-])/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H17N5O3S/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/h1-9,11,15,17H,10H2,(H,22,26)(H2,23,24,29)/b8-6+