1-(2-methoxyphenyl)-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(2-methoxyphenyl)-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]thiourea Openeye Name: 1-(2-methoxyphenyl)-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]thiourea CAS Name: 1-(2-methoxyphenyl)-3-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]thiourea IUPAC Name: 1-(2-methoxyphenyl)-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]thiourea Traditional Name: 1-(2-methoxyphenyl)-3-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]thiourea Formula: C19H16N6O3S2 MolecularWeight: 440.49874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S2/c1-28-16-6-3-2-5-14(16)23-18(29)24-22-12-13-7-8-17(15(11-13)25(26)27)30-19-20-9-4-10-21-19/h2-12H,1H3,(H2,23,24,29)/b22-12+