1-methyl-3-[(E)-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(E)-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-[5-nitro-2-(2-pyridylsulfanyl)phenyl]methyleneamino]thiourea CAS Name: 1-methyl-3-[(E)-[5-nitro-2-(2-pyridinylthio)phenyl]methylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]thiourea Traditional Name: 1-methyl-3-[(E)-[5-nitro-2-(2-pyridylthio)benzylidene]amino]thiourea Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=N2

InChI

InChI=1S/C14H13N5O2S2/c1-15-14(22)18-17-9-10-8-11(19(20)21)5-6-12(10)23-13-4-2-3-7-16-13/h2-9H,1H3,(H2,15,18,22)/b17-9+