5-nitro-2-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[2-(4-oxo-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]benzonitrile CAS Name: 5-nitro-2-[2-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]benzonitrile IUPAC Name: 5-nitro-2-[2-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]benzonitrile Traditional Name: 2-[2-(4-keto-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylamino]-5-nitro-benzonitrile Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC(=S)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N=C1

Isomeric SMILES

C1=CC2=C(NC(=S)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N=C1

InChI

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