2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C15H21N6O3S+ MolecularWeight: 365.43064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O3S/c1-18-11-16-17-15(18)25-14-10-12(2-3-13(14)21(23)24)20-6-4-19(5-7-20)8-9-22/h2-3,10-11,22H,4-9H2,1H3/p+1