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

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C18H22Cl2N4OS MolecularWeight: 413.36448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1CC=C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1CC=C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N4OS/c1-4-9-24-17(14-8-7-12(19)10-15(14)20)22-23-18(24)26-11-16(25)21-13(5-2)6-3/h4,7-8,10,13H,1,5-6,9,11H2,2-3H3,(H,21,25)