N-(4-tert-butylphenyl)-2-[(5-oxidanylidene-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(5-oxidanylidene-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[5-oxo-4-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[5-oxo-4-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[5-keto-4-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CN=CC=C3

InChI

InChI=1S/C19H21N5O2S/c1-19(2,3)13-6-8-14(9-7-13)21-16(25)12-27-18-23-22-17(26)24(18)15-5-4-10-20-11-15/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)