N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-14(19(27)23-21(2,3)4)28-20-25-24-18(15-10-12-16(22)13-11-15)26(20)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,27)