2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-1-(3-methoxyphenyl)ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)C(C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-19-15(11(2)3)17-18-16(19)22-10-14(20)12-7-6-8-13(9-12)21-4/h6-9,11H,5,10H2,1-4H3