N-tert-butyl-2-[[5-methyl-4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-methyl-4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(benzylamino)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-methyl-4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(benzylamino)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-(benzylamino)-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC=CC=C2)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NCC2=CC=CC=C2)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C16H23N5OS/c1-12-19-20-15(23-11-14(22)18-16(2,3)4)21(12)17-10-13-8-6-5-7-9-13/h5-9,17H,10-11H2,1-4H3,(H,18,22)