(3E)-1-tert-butyl-3-[3-(4-chloranyl-2-nitro-phenyl)-1,3-thiazolidin-2-ylidene]thiourea

Systemtic Name: (3E)-1-tert-butyl-3-[3-(4-chloranyl-2-nitro-phenyl)-1,3-thiazolidin-2-ylidene]thiourea Openeye Name: (3E)-1-tert-butyl-3-[3-(4-chloro-2-nitro-phenyl)thiazolidin-2-ylidene]thiourea CAS Name: (3E)-1-tert-butyl-3-[3-(4-chloro-2-nitrophenyl)-2-thiazolidinylidene]thiourea IUPAC Name: (3E)-1-tert-butyl-3-[3-(4-chloro-2-nitrophenyl)-1,3-thiazolidin-2-ylidene]thiourea Traditional Name: (3E)-1-tert-butyl-3-[3-(4-chloro-2-nitro-phenyl)thiazolidin-2-ylidene]thiourea Formula: C14H17ClN4O2S2 MolecularWeight: 372.89338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N=C1N(CCS1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)/N=C/1\N(CCS1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN4O2S2/c1-14(2,3)17-12(22)16-13-18(6-7-23-13)10-5-4-9(15)8-11(10)19(20)21/h4-5,8H,6-7H2,1-3H3,(H,17,22)/b16-13+