(1E)-1-[3-(2-chloranyl-6-nitro-phenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea

Systemtic Name: (1E)-1-[3-(2-chloranyl-6-nitro-phenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea Openeye Name: (3E)-1-allyl-3-[3-(2-chloro-6-nitro-phenyl)thiazolidin-2-ylidene]thiourea CAS Name: (1E)-1-[3-(2-chloro-6-nitrophenyl)-2-thiazolidinylidene]-3-prop-2-enylthiourea IUPAC Name: (1E)-1-[3-(2-chloro-6-nitrophenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enylthiourea Traditional Name: (3E)-1-allyl-3-[3-(2-chloro-6-nitro-phenyl)thiazolidin-2-ylidene]thiourea Formula: C13H13ClN4O2S2 MolecularWeight: 356.85092

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N=C1N(CCS1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)/N=C/1\N(CCS1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN4O2S2/c1-2-6-15-12(21)16-13-17(7-8-22-13)11-9(14)4-3-5-10(11)18(19)20/h2-5H,1,6-8H2,(H,15,21)/b16-13+