3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-2-3-4-7-16-20-21-18(27-16)19-17(24)13-8-9-14(15(12-13)23(25)26)22-10-5-6-11-22/h8-9,12H,2-7,10-11H2,1H3,(H,19,21,24)