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

Systemtic Name: N-tert-butyl-2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4OS/c1-10-6-7-12(8-13(10)17)21-9-18-20-15(21)23-11(2)14(22)19-16(3,4)5/h6-9,11H,1-5H3,(H,19,22)