6-(2-nitrophenyl)sulfanyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(2-nitrophenyl)sulfanyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(2-nitrophenyl)sulfanyl-3-[(E)-2-pyridylmethyleneamino]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[(2-nitrophenyl)thio]-3-[(E)-2-pyridinylmethylideneamino]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(2-nitrophenyl)sulfanyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-[(2-nitrophenyl)thio]-3-[(E)-2-pyridylmethyleneamino]thieno[2,3-d]pyrimidin-4-one Formula: C18H11N5O3S2 MolecularWeight: 409.44164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC3=C(S2)N=CN(C3=O)N=CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC3=C(S2)N=CN(C3=O)/N=C/C4=CC=CC=N4

InChI

InChI=1S/C18H11N5O3S2/c24-18-13-9-16(27-15-7-2-1-6-14(15)23(25)26)28-17(13)20-11-22(18)21-10-12-5-3-4-8-19-12/h1-11H/b21-10+