ethyl N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]carbamate

Systemtic Name: ethyl N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]carbamate Openeye Name: ethyl N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]carbamate CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]carbamic acid ethyl ester IUPAC Name: ethyl N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]carbamate Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]carbamic acid ethyl ester Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN=CC1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N/N=C/C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c1-2-23-14(20)18-17-9-10-4-5-12(11(8-10)19(21)22)24-13-15-6-3-7-16-13/h3-9H,2H2,1H3,(H,18,20)/b17-9+