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

Systemtic Name: N-[4-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]butyramide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-3-5-18(27)22-16-9-7-14(8-10-16)17(26)13-28-20-24-23-19(25(20)2)15-6-4-11-21-12-15/h4,6-12H,3,5,13H2,1-2H3,(H,22,27)