(1E)-1-[3-(2-nitrophenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea

Systemtic Name: (1E)-1-[3-(2-nitrophenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea Openeye Name: (3E)-1-allyl-3-[3-(2-nitrophenyl)thiazolidin-2-ylidene]thiourea CAS Name: (1E)-1-[3-(2-nitrophenyl)-2-thiazolidinylidene]-3-prop-2-enylthiourea IUPAC Name: (1E)-1-[3-(2-nitrophenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enylthiourea Traditional Name: (3E)-1-allyl-3-[3-(2-nitrophenyl)thiazolidin-2-ylidene]thiourea Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S2/c1-2-7-14-12(20)15-13-16(8-9-21-13)10-5-3-4-6-11(10)17(18)19/h2-6H,1,7-9H2,(H,14,20)/b15-13+