2-methyl-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)-2H-1,3-benzothiazol-3-ium-3-amine

Systemtic Name: 2-methyl-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)-2H-1,3-benzothiazol-3-ium-3-amine Openeye Name: 2-methyl-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)-2H-1,3-benzothiazol-3-ium-3-amine CAS Name: 2-methyl-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)-2H-1,3-benzothiazol-3-ium-3-amine IUPAC Name: 2-methyl-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)-2H-1,3-benzothiazol-3-ium-3-amine Traditional Name: [2-methyl-3-(4-nitrophenyl)-2H-1,3-benzothiazol-3-ium-3-yl]-(1,2,4-triazol-4-yl)amine Formula: C16H15N6O2S+ MolecularWeight: 355.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC1[N+](C2=CC=CC=C2S1)(C3=CC=C(C=C3)[N+](=O)[O-])NN4C=NN=C4

Isomeric SMILES

CC1[N+](C2=CC=CC=C2S1)(C3=CC=C(C=C3)[N+](=O)[O-])NN4C=NN=C4

InChI

InChI=1S/C16H15N6O2S/c1-12-22(19-20-10-17-18-11-20,15-4-2-3-5-16(15)25-12)14-8-6-13(7-9-14)21(23)24/h2-12,19H,1H3/q+1