1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitro-phenyl)ethenyl]thiourea

Systemtic Name: 1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitro-phenyl)ethenyl]thiourea Openeye Name: 1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitro-phenyl)vinyl]thiourea CAS Name: 1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitrophenyl)ethenyl]thiourea IUPAC Name: 1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitrophenyl)ethenyl]thiourea Traditional Name: 1-acetamido-3-[(E)-2-(6-methyl-2,3-dinitro-phenyl)vinyl]thiourea Formula: C12H13N5O5S MolecularWeight: 339.32712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C=CNC(=S)NNC(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C=C/NC(=S)NNC(=O)C

InChI

InChI=1S/C12H13N5O5S/c1-7-3-4-10(16(19)20)11(17(21)22)9(7)5-6-13-12(23)15-14-8(2)18/h3-6H,1-2H3,(H,14,18)(H2,13,15,23)/b6-5+