2-bromanyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole; 4-nitroaniline

Systemtic Name: 2-bromanyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole; 4-nitroaniline Openeye Name: 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole; 4-nitroaniline CAS Name: 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole; 4-nitroaniline IUPAC Name: 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole; 4-nitroaniline Traditional Name: 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole; (4-nitrophenyl)amine Formula: C12H11BrN6O2S MolecularWeight: 383.22374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)[N+](=O)[O-].C1=C(SC(=N1)Br)CC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1N)[N+](=O)[O-].C1=C(SC(=N1)Br)CC2=NC=NN2

InChI

InChI=1S/C6H5BrN4S.C6H6N2O2/c7-6-8-2-4(12-6)1-5-9-3-10-11-5;7-5-1-3-6(4-2-5)8(9)10/h2-3H,1H2,(H,9,10,11);1-4H,7H2