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

Systemtic Name: tert-butyl N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[[5-(benzylthio)-4-methyl-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:

CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-16(2,3)22-15(21)17-10-13-18-19-14(20(13)4)23-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)