N-(2,6-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-10-6-4-7-11(2)14(10)18-16(22)12(3)24-17-19-15(20-21-17)13-8-5-9-23-13/h4-9,12H,1-3H3,(H,18,22)(H,19,20,21)