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

Systemtic Name: 4-(dimethylamino)-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-(dimethylamino)-3-nitro-benzamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-4-5-6-7-14-18-19-16(25-14)17-15(22)11-8-9-12(20(2)3)13(10-11)21(23)24/h8-10H,4-7H2,1-3H3,(H,17,19,22)