N-[(2-bromanyl-1,3-thiazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Systemtic Name: N-[(2-bromanyl-1,3-thiazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Openeye Name: N-[(2-bromothiazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine CAS Name: N-[(2-bromo-5-thiazolyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine IUPAC Name: N-[(2-bromo-1,3-thiazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Traditional Name: (2-bromothiazol-5-yl)methyl-(4-nitrophenyl)-(1,2,4-triazol-4-yl)amine Formula: C12H9BrN6O2S MolecularWeight: 381.20786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CC2=CN=C(S2)Br)N3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CC2=CN=C(S2)Br)N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN6O2S/c13-12-14-5-11(22-12)6-18(17-7-15-16-8-17)9-1-3-10(4-2-9)19(20)21/h1-5,7-8H,6H2