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

Systemtic Name: 2-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-cyclopropanecarboxamide CAS Name: 2-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1-cyclopropanecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitrocyclopropane-1-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-cyclopropanecarboxamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

C1C(C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O3S2/c18-11(9-6-10(9)17(19)20)14-12-15-16-13(22-12)21-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,15,18)