4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-3-nitro-benzamide Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c13-10(17)7-3-4-9(8(5-7)16(18)19)21-12-15-14-11(20-12)6-1-2-6/h3-6H,1-2H2,(H2,13,17)