6-(4-chlorophenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H15ClN4O3S MolecularWeight: 450.8975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O3S/c23-15-6-12-19(13-7-15)31-22-20(27(28)29)21(24-14-25-22)26-16-8-10-18(11-9-16)30-17-4-2-1-3-5-17/h1-14H,(H,24,25,26)