(2E)-4,6-bis(azanyl)-2-[4-phenyl-3-(phenylcarbonyl)-2-sulfanylidene-imidazol-1-yl]imino-pyran-3-carbonitrile

Systemtic Name: (2E)-4,6-bis(azanyl)-2-[4-phenyl-3-(phenylcarbonyl)-2-sulfanylidene-imidazol-1-yl]imino-pyran-3-carbonitrile Openeye Name: (2E)-4,6-diamino-2-(3-benzoyl-4-phenyl-2-thioxo-imidazol-1-yl)imino-pyran-3-carbonitrile CAS Name: (2E)-4,6-diamino-2-[(3-benzoyl-4-phenyl-2-sulfanylidene-1-imidazolyl)imino]-3-pyrancarbonitrile IUPAC Name: (2E)-4,6-diamino-2-(3-benzoyl-4-phenyl-2-sulfanylideneimidazol-1-yl)iminopyran-3-carbonitrile Traditional Name: (2E)-4,6-diamino-2-[(3-benzoyl-4-phenyl-2-thioxo-4-imidazolin-1-yl)imino]pyran-3-carbonitrile Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=S)N2C(=O)C3=CC=CC=C3)N=C4C(=C(C=C(O4)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=S)N2C(=O)C3=CC=CC=C3)/N=C/4\C(=C(C=C(O4)N)N)C#N

InChI

InChI=1S/C22H16N6O2S/c23-12-16-17(24)11-19(25)30-20(16)26-27-13-18(14-7-3-1-4-8-14)28(22(27)31)21(29)15-9-5-2-6-10-15/h1-11,13H,24-25H2/b26-20+