N-(1,3-benzothiazol-6-ylmethyl)-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Systemtic Name: N-(1,3-benzothiazol-6-ylmethyl)-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Openeye Name: N-(1,3-benzothiazol-6-ylmethyl)-N-(4-nitrophenyl)-1,2,4-triazol-4-amine CAS Name: N-(1,3-benzothiazol-6-ylmethyl)-N-(4-nitrophenyl)-1,2,4-triazol-4-amine IUPAC Name: N-(1,3-benzothiazol-6-ylmethyl)-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Traditional Name: 1,3-benzothiazol-6-ylmethyl-(4-nitrophenyl)-(1,2,4-triazol-4-yl)amine Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CC2=CC3=C(C=C2)N=CS3)N4C=NN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CC2=CC3=C(C=C2)N=CS3)N4C=NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2S/c23-22(24)14-4-2-13(3-5-14)21(20-9-18-19-10-20)8-12-1-6-15-16(7-12)25-11-17-15/h1-7,9-11H,8H2