2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-5-keto-4-(2-thienyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)NC(=C(C3=CC=CC=C3)NO)N=O)C#N)C4=CC=CS4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N/C(=C(/C3=CC=CC=C3)\NO)/N=O)C#N)C4=CC=CS4)C(=O)C1

InChI

InChI=1S/C22H18N4O4S/c23-12-14-18(17-10-5-11-31-17)19-15(27)8-4-9-16(19)30-22(14)24-21(26-29)20(25-28)13-6-2-1-3-7-13/h1-3,5-7,10-11,18,24-25,28H,4,8-9H2/b21-20+