N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide Openeye Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide CAS Name: N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide IUPAC Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide Traditional Name: N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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