3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)propanamide

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)propanamide Openeye Name: N-isopentyl-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)propanamide Traditional Name: N-isoamyl-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H24N4O2S/c1-12(2)8-10-18-15(22)9-11-21-16(19-20-17(21)24)13-4-6-14(23-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,24)