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

Systemtic Name: tert-butyl N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)20-13(19)15-9-11-16-17-12(21)18(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,17,21)