tert-butyl N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]carbamate

Systemtic Name: tert-butyl N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]carbamate CAS Name: N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methylbutyl]carbamate Traditional Name: N-[1-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N5O3S/c1-13(2)11-16(22-20(27)29-21(3,4)5)18-23-24-19-26(18)25-17(12-30-19)14-7-9-15(28-6)10-8-14/h7-10,13,16H,11-12H2,1-6H3,(H,22,27)