tert-butyl N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]carbamate Openeye Name: tert-butyl N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]carbamate CAS Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]carbamate Traditional Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethyl]carbamic acid tert-butyl ester Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=NC=NN1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=NC=NN1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S/c1-15(2,3)24-14(21)18-12(8-25-13-16-9-17-19-13)10-5-4-6-11(7-10)20(22)23/h4-7,9,12H,8H2,1-3H3,(H,18,21)(H,16,17,19)