2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S2/c19-11(14-9-2-1-3-10(6-9)18(20)21)7-22-13-17-16-12(23-13)15-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,14,19)(H,15,16)