1-[(E)-[3-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-[(4-methoxy-3-nitrophenyl)methyl]-4-imidazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-[(4-methoxy-3-nitrophenyl)methyl]imidazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(4-methoxy-3-nitro-benzyl)imidazol-4-yl]methyleneamino]thiourea Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC=C2C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC=C2/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O3S/c1-22-12-3-2-9(4-11(12)19(20)21)7-18-8-15-5-10(18)6-16-17-13(14)23/h2-6,8H,7H2,1H3,(H3,14,17,23)/b16-6+