N-heptan-2-yl-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-methylhexyl)-2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H30N4OS/c1-5-6-7-8-16(4)22-19(25)13-26-20-23-21-14-24(20)18-11-9-17(10-12-18)15(2)3/h9-12,14-16H,5-8,13H2,1-4H3,(H,22,25)