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

Systemtic Name: 2-[(4-azanyl-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-(methylthio)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-(methylthio)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-tert-butyl-acetamide Formula: C16H23N5OS2 MolecularWeight: 365.51672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)SC

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)SC

InChI

InChI=1S/C16H23N5OS2/c1-16(2,3)20(10-12-8-6-5-7-9-12)13(22)11-24-15-19-18-14(23-4)21(15)17/h5-9H,10-11,17H2,1-4H3