N-[4-[[4-ethyl-5-(3-oxidanylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-ethyl-5-(3-oxidanylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)NC(=O)C)CCCO

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)NC(=O)C)CCCO

InChI

InChI=1S/C16H22N4O2S/c1-3-20-15(5-4-10-21)18-19-16(20)23-11-13-6-8-14(9-7-13)17-12(2)22/h6-9,21H,3-5,10-11H2,1-2H3,(H,17,22)