tert-butyl N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N4O2S/c1-5-23-14-19-18-13(11-17-15(21)22-16(2,3)4)20(14)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,17,21)