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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-tert-butyl-benzamide Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-tert-butyl-benzamide CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-tert-butylbenzamide IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-tert-butylbenzamide Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-tert-butyl-benzamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5OS/c1-14(2,3)17-11(20)10-6-4-9(5-7-10)8-21-13-16-12(15)18-19-13/h4-7H,8H2,1-3H3,(H,17,20)(H3,15,16,18,19)