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

Systemtic Name: 3-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-14(2)12-19(28)23-17-6-4-15(5-7-17)18(27)13-29-21-25-24-20(26(21)3)16-8-10-22-11-9-16/h4-11,14H,12-13H2,1-3H3,(H,23,28)