N-butyl-4-nitro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: N-butyl-4-nitro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-butyl-4-nitro-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-butyl-4-nitro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: N-butyl-4-nitro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-butyl-4-nitro-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-2-3-12-22(17(24)14-4-6-15(7-5-14)23(25)26)18-21-20-16(27-18)13-8-10-19-11-9-13/h4-11H,2-3,12H2,1H3