5-nitro-2-phenylsulfanyl-N-pyridin-4-yl-benzamide

Systemtic Name: 5-nitro-2-phenylsulfanyl-N-pyridin-4-yl-benzamide Openeye Name: 5-nitro-2-phenylsulfanyl-N-(4-pyridyl)benzamide CAS Name: 5-nitro-2-(phenylthio)-N-pyridin-4-ylbenzamide IUPAC Name: 5-nitro-2-phenylsulfanyl-N-pyridin-4-ylbenzamide Traditional Name: 5-nitro-2-(phenylthio)-N-(4-pyridyl)benzamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H13N3O3S/c22-18(20-13-8-10-19-11-9-13)16-12-14(21(23)24)6-7-17(16)25-15-4-2-1-3-5-15/h1-12H,(H,19,20,22)