4-(ethylamino)-3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-(ethylamino)-3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(ethylamino)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(ethylamino)-3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(ethylamino)-3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(ethylamino)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-4-10(5-2)15-19-20-16(25-15)18-14(22)11-7-8-12(17-6-3)13(9-11)21(23)24/h7-10,17H,4-6H2,1-3H3,(H,18,20,22)