1-butyl-3-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(4-chloro-3-nitro-benzylidene)amino]thiourea Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN4O2S/c1-2-3-6-14-12(20)16-15-8-9-4-5-10(13)11(7-9)17(18)19/h4-5,7-8H,2-3,6H2,1H3,(H2,14,16,20)/b15-8-