N-(4-butylphenyl)-2-[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetamide CAS Name: N-(4-butylphenyl)-2-[5-methoxy-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1-pyridinyl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[4-keto-5-methoxy-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-pyridyl]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CSC3=NN=CN3C)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CSC3=NN=CN3C)OC

InChI

InChI=1S/C22H27N5O3S/c1-4-5-6-16-7-9-17(10-8-16)24-21(29)13-27-12-20(30-3)19(28)11-18(27)14-31-22-25-23-15-26(22)2/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,29)