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

Systemtic Name: 1-[(E)-(4-methyl-3-nitro-phenyl)methylideneamino]thiourea Openeye Name: [(E)-(4-methyl-3-nitro-phenyl)methyleneamino]thiourea CAS Name: [(E)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea IUPAC Name: [(E)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea Traditional Name: [(E)-(4-methyl-3-nitro-benzylidene)amino]thiourea Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S/c1-6-2-3-7(4-8(6)13(14)15)5-11-12-9(10)16/h2-5H,1H3,(H3,10,12,16)/b11-5+