N-(2-tert-butyl-6-methyl-phenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide

Systemtic Name: N-(2-tert-butyl-6-methyl-phenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NC(=S)NN2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NC(=S)NN2

InChI

InChI=1S/C16H22N4OS/c1-10-6-5-7-11(16(2,3)4)14(10)18-13(21)9-8-12-17-15(22)20-19-12/h5-7H,8-9H2,1-4H3,(H,18,21)(H2,17,19,20,22)