S-[(1-phenyl-5H-1,2,3,4-tetrazol-1-ium-5-yl)] N-[(2-methoxy-5-nitro-phenyl)methyl]-N-propan-2-yl-carbamothioate

Systemtic Name: S-[(1-phenyl-5H-1,2,3,4-tetrazol-1-ium-5-yl)] N-[(2-methoxy-5-nitro-phenyl)methyl]-N-propan-2-yl-carbamothioate Openeye Name: S-[(1-phenyl-5H-tetrazol-1-ium-5-yl)] N-isopropyl-N-[(2-methoxy-5-nitro-phenyl)methyl]carbamothioate CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-N-propan-2-ylcarbamothioic acid S-[(1-phenyl-5H-tetrazol-1-ium-5-yl)] ester IUPAC Name: S-[(1-phenyl-5H-tetrazol-1-ium-5-yl)] N-[(2-methoxy-5-nitrophenyl)methyl]-N-propan-2-ylcarbamothioate Traditional Name: N-isopropyl-N-(2-methoxy-5-nitro-benzyl)thiocarbamic acid S-[(1-phenyl-5H-tetrazol-1-ium-5-yl)] ester Formula: C19H21N6O4S+ MolecularWeight: 429.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)SC2N=NN=[N+]2C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)SC2N=NN=[N+]2C3=CC=CC=C3

InChI

InChI=1S/C19H21N6O4S/c1-13(2)23(12-14-11-16(25(27)28)9-10-17(14)29-3)19(26)30-18-20-21-22-24(18)15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3/q+1