2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-ditert-butylphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-ditert-butylphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-ditert-butylphenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3,5-ditert-butylphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-ditert-butylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3,5-ditert-butylphenyl)acetamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5OS/c1-17(2,3)11-7-12(18(4,5)6)9-13(8-11)20-14(24)10-25-16-21-15(19)22-23-16/h7-9H,10H2,1-6H3,(H,20,24)(H3,19,21,22,23)