N-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amine Formula: C17H12N8O4S MolecularWeight: 424.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N8O4S/c26-24(27)11-7-5-10(6-8-11)22-23-16-14(25(28)29)15(18-9-19-16)21-17-20-12-3-1-2-4-13(12)30-17/h1-9,22H,(H2,18,19,20,21,23)