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

Systemtic Name: tert-butyl N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C15H20N4O2S/c1-15(2,3)21-14(20)16-9-12-17-18-13(22)19(12)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,18,22)