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

Systemtic Name: N-tert-butyl-2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C17H20Cl2N4OS MolecularWeight: 399.3379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N4OS/c1-5-8-23-15(12-7-6-11(18)9-13(12)19)21-22-16(23)25-10-14(24)20-17(2,3)4/h5-7,9H,1,8,10H2,2-4H3,(H,20,24)