S-[(5-azanyl-1,3,4-thiadiazol-2-yl)] N-(4-nitrophenyl)carbamothioate

Systemtic Name: S-[(5-azanyl-1,3,4-thiadiazol-2-yl)] N-(4-nitrophenyl)carbamothioate Openeye Name: S-[(5-amino-1,3,4-thiadiazol-2-yl)] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid S-[(5-amino-1,3,4-thiadiazol-2-yl)] ester IUPAC Name: S-[(5-amino-1,3,4-thiadiazol-2-yl)] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid S-[(5-amino-1,3,4-thiadiazol-2-yl)] ester Formula: C9H7N5O3S2 MolecularWeight: 297.31358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)SC2=NN=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)SC2=NN=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O3S2/c10-7-12-13-9(18-7)19-8(15)11-5-1-3-6(4-2-5)14(16)17/h1-4H,(H2,10,12)(H,11,15)