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

Systemtic Name: 3-methyl-N-[3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[3-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]butanamide CAS Name: 3-methyl-N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]butanamide Traditional Name: 3-methyl-N-[3-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]butyramide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S/c1-14(2)11-18(28)23-16-5-4-6-17(12-16)24-19(29)13-30-21-26-25-20(27(21)3)15-7-9-22-10-8-15/h4-10,12,14H,11,13H2,1-3H3,(H,23,28)(H,24,29)