1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Formula: C16H12ClN5O2S2 MolecularWeight: 405.88178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O2S2/c1-9(10-2-5-12(6-3-10)22(23)24)20-21-15(25)19-16-18-13-7-4-11(17)8-14(13)26-16/h2-8H,1H3,(H2,18,19,21,25)/b20-9+