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

Systemtic Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide CAS Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide IUPAC Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide Formula: C31H42N4O3S MolecularWeight: 550.75518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36)