2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C18H19Cl2N3OS MolecularWeight: 396.33396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCCCC2=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SC2CCCCCC2=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3OS/c1-2-10-23-17(13-9-8-12(19)11-14(13)20)21-22-18(23)25-16-7-5-3-4-6-15(16)24/h2,8-9,11,16H,1,3-7,10H2