4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c26-25(27)18-8-6-16(7-9-18)15-29-20-22-21-19(14-23-10-12-28-13-11-23)24(20)17-4-2-1-3-5-17/h1-9H,10-15H2/p+1