4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline; 1H-1,2,4-triazole

Systemtic Name: 4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline; 1H-1,2,4-triazole Openeye Name: 4-nitro-N-(thiazol-4-ylmethyl)aniline; 1H-1,2,4-triazole CAS Name: 4-nitro-N-(4-thiazolylmethyl)aniline; 1H-1,2,4-triazole IUPAC Name: 4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline; 1H-1,2,4-triazole Traditional Name: (4-nitrophenyl)-(thiazol-4-ylmethyl)amine; 1H-1,2,4-triazole Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CSC=N2)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1NCC2=CSC=N2)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C10H9N3O2S.C2H3N3/c14-13(15)10-3-1-8(2-4-10)11-5-9-6-16-7-12-9;1-3-2-5-4-1/h1-4,6-7,11H,5H2;1-2H,(H,3,4,5)