[5-nitro-2-[[4-(phenylcarbamoyl)phenyl]amino]pyrimidin-4-yl] thiocyanate

Systemtic Name: [5-nitro-2-[[4-(phenylcarbamoyl)phenyl]amino]pyrimidin-4-yl] thiocyanate Openeye Name: [5-nitro-2-[4-(phenylcarbamoyl)anilino]pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-[4-[anilino(oxo)methyl]anilino]-5-nitro-4-pyrimidinyl] ester IUPAC Name: [5-nitro-2-[4-(phenylcarbamoyl)anilino]pyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-nitro-2-[4-(phenylcarbamoyl)anilino]pyrimidin-4-yl] ester Formula: C18H12N6O3S MolecularWeight: 392.39128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O3S/c19-11-28-17-15(24(26)27)10-20-18(23-17)22-14-8-6-12(7-9-14)16(25)21-13-4-2-1-3-5-13/h1-10H,(H,21,25)(H,20,22,23)