N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-tert-butyl-benzamide CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-tert-butylbenzamide Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-tert-butyl-benzamide Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C15H19N5O2S/c1-15(2,3)10-6-4-9(5-7-10)12(22)17-11(21)8-23-14-18-13(16)19-20-14/h4-7H,8H2,1-3H3,(H,17,21,22)(H3,16,18,19,20)