N-(2,6-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(2,6-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-5-16(19(26)22-17-13(2)7-6-8-14(17)3)27-20-24-23-18(25(20)4)15-9-11-21-12-10-15/h6-12,16H,5H2,1-4H3,(H,22,26)