N-(2-methyl-6-propan-2-yl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=CN2C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=CN2C

InChI

InChI=1S/C16H22N4OS/c1-10(2)13-8-6-7-11(3)14(13)18-15(21)12(4)22-16-19-17-9-20(16)5/h6-10,12H,1-5H3,(H,18,21)