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

Systemtic Name: (2E)-4,6-bis(azanyl)-2-[4-oxidanyl-3-(phenylcarbonyl)-2-sulfanylidene-imidazol-1-yl]imino-pyran-3-carbonitrile Openeye Name: (2E)-4,6-diamino-2-(3-benzoyl-4-hydroxy-2-thioxo-imidazol-1-yl)imino-pyran-3-carbonitrile CAS Name: (2E)-4,6-diamino-2-[(3-benzoyl-4-hydroxy-2-sulfanylidene-1-imidazolyl)imino]-3-pyrancarbonitrile IUPAC Name: (2E)-4,6-diamino-2-(3-benzoyl-4-hydroxy-2-sulfanylideneimidazol-1-yl)iminopyran-3-carbonitrile Traditional Name: (2E)-4,6-diamino-2-[(3-benzoyl-4-hydroxy-2-thioxo-4-imidazolin-1-yl)imino]pyran-3-carbonitrile Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=CN(C2=S)N=C3C(=C(C=C(O3)N)N)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=CN(C2=S)/N=C/3\C(=C(C=C(O3)N)N)C#N)O

InChI

InChI=1S/C16H12N6O3S/c17-7-10-11(18)6-12(19)25-14(10)20-21-8-13(23)22(16(21)26)15(24)9-4-2-1-3-5-9/h1-6,8,23H,18-19H2/b20-14+