N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-10-6-7-12(9-13(10)20(22)23)15(21)17-16-19-18-14(24-16)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,17,19,21)