N-(4-butylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2S/c1-3-5-9-19-12-14-20(15-13-19)25-23(29)18-31-24-27-26-22(28(24)16-4-2)17-30-21-10-7-6-8-11-21/h4,6-8,10-15H,2-3,5,9,16-18H2,1H3,(H,25,29)