5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide Openeye Name: 5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide CAS Name: 5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide Traditional Name: 5-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]-2-furamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-15(13-9-10-14(26-13)22(24)25)19-17-21-20-16(27-17)18-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,11H2,(H,18,20)(H,19,21,23)