2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-mesityl-propionamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H27N5OS/c1-6-7-8-15-21-22-18(23(15)19)25-14(5)17(24)20-16-12(3)9-11(2)10-13(16)4/h9-10,14H,6-8,19H2,1-5H3,(H,20,24)