1-(4-nitrophenyl)-2-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)diazane

Systemtic Name: 1-(4-nitrophenyl)-2-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)diazane Openeye Name: 1-(4-nitrophenyl)-2-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)hydrazine CAS Name: 1-(4-nitrophenyl)-2-[5-nitro-6-(phenylthio)-4-pyrimidinyl]hydrazine IUPAC Name: 1-(4-nitrophenyl)-2-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)hydrazine Traditional Name: 1-(4-nitrophenyl)-2-[5-nitro-6-(phenylthio)pyrimidin-4-yl]hydrazine Formula: C16H12N6O4S MolecularWeight: 384.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4S/c23-21(24)12-8-6-11(7-9-12)19-20-15-14(22(25)26)16(18-10-17-15)27-13-4-2-1-3-5-13/h1-10,19H,(H,17,18,20)