tert-butyl N-[[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]carbamate CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]carbamate Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H23N5O3S/c1-17(2,3)25-16(24)18-10-13-20-21-15(22(13)4)26-11-14(23)19-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,18,24)(H,19,23)