3-methyl-5-(3-nitrophenyl)-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: 3-methyl-5-(3-nitrophenyl)-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: N-benzyl-3-methyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: 3-methyl-5-(3-nitrophenyl)-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: N-benzyl-3-methyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: benzyl-[3-methyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-3-ium-2-yl]amine Formula: C17H17N4O2S+ MolecularWeight: 341.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SCC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(SCC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-20-17(18-11-13-6-3-2-4-7-13)24-12-16(19-20)14-8-5-9-15(10-14)21(22)23/h2-10H,11-12H2,1H3/p+1