2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C19H25ClN4OS MolecularWeight: 392.946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SC(C)C(=O)NC3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SC(C)C(=O)NC3CCCCCC3)Cl

InChI

InChI=1S/C19H25ClN4OS/c1-13-9-10-16(11-17(13)20)24-12-21-23-19(24)26-14(2)18(25)22-15-7-5-3-4-6-8-15/h9-12,14-15H,3-8H2,1-2H3,(H,22,25)