1-(6-chloranylpyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(6-chloranylpyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(6-chloro-2-pyrazinyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Formula: C18H10ClN7O4S2 MolecularWeight: 487.8995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)N(C2=CN=CC(=N2)Cl)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N(C2=CN=CC(=N2)Cl)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H10ClN7O4S2/c19-15-8-20-9-16(23-15)24(17(31)21-10-1-3-11(4-2-10)25(27)28)18-22-13-6-5-12(26(29)30)7-14(13)32-18/h1-9H,(H,21,31)