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

Systemtic Name: N-(3,4-dichlorophenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide CAS Name: N-(3,4-dichlorophenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dichlorophenyl)acetamide Formula: C21H20Cl2N4OS MolecularWeight: 447.3807

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20Cl2N4OS/c1-2-12-27-19(11-8-15-6-4-3-5-7-15)25-26-21(27)29-14-20(28)24-16-9-10-17(22)18(23)13-16/h2-7,9-10,13H,1,8,11-12,14H2,(H,24,28)