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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methoxypropan-2-yl)propanamide Openeye Name: N-(2-methoxy-1-methyl-ethyl)-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-(1-methoxypropan-2-yl)propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methoxypropan-2-yl)propanamide Traditional Name: N-(2-methoxy-1-methyl-ethyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(COC)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O3S/c1-11(10-22-2)17-14(21)8-9-20-15(18-19-16(20)24)12-4-6-13(23-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,19,24)