1-azanyl-3-[(E)-[1-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-azanyl-3-[(E)-[1-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-2-yl]methylideneamino]thiourea Openeye Name: 1-amino-3-[(E)-[1-[(4-methoxy-3-nitro-phenyl)methyl]imidazol-2-yl]methyleneamino]thiourea CAS Name: 1-amino-3-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]-2-imidazolyl]methylideneamino]thiourea IUPAC Name: 1-amino-3-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea Traditional Name: 1-amino-3-[(E)-[1-(4-methoxy-3-nitro-benzyl)imidazol-2-yl]methyleneamino]thiourea Formula: C13H15N7O3S MolecularWeight: 349.3683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O3S/c1-23-11-3-2-9(6-10(11)20(21)22)8-19-5-4-15-12(19)7-16-18-13(24)17-14/h2-7H,8,14H2,1H3,(H2,17,18,24)/b16-7+