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

Systemtic Name: tert-butyl N-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(5-allylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[[4-phenyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[[5-(allylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NN=C(N1C2=CC=CC=C2)SCC=C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NN=C(N1C2=CC=CC=C2)SCC=C

InChI

InChI=1S/C17H22N4O2S/c1-5-11-24-15-20-19-14(12-18-16(22)23-17(2,3)4)21(15)13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3,(H,18,22)