2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-propanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-phenyl-propionamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H22N4OS/c1-15(20(26)24(2)17-9-5-3-6-10-17)27-21-23-22-19(16-13-14-16)25(21)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3