4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-2-3-5-13-8-10-14(11-9-13)17(24)20-19-22-21-18(27-19)15-6-4-7-16(12-15)23(25)26/h4,6-7,12-14H,2-3,5,8-11H2,1H3,(H,20,22,24)