1-[(E)-[5-nitro-1-(phenylmethyl)imidazol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-nitro-1-(phenylmethyl)imidazol-2-yl]methylideneamino]thiourea Openeye Name: [(E)-(1-benzyl-5-nitro-imidazol-2-yl)methyleneamino]thiourea CAS Name: [(E)-[5-nitro-1-(phenylmethyl)-2-imidazolyl]methylideneamino]thiourea IUPAC Name: [(E)-(1-benzyl-5-nitroimidazol-2-yl)methylideneamino]thiourea Traditional Name: [(E)-(1-benzyl-5-nitro-imidazol-2-yl)methyleneamino]thiourea Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S/c13-12(21)16-15-6-10-14-7-11(18(19)20)17(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,16,21)/b15-6+