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

Systemtic Name: N,N-diethyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N,N-diethyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N,N-diethyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N,N-diethyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N,N-diethyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)C(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-19(5-2)14(21)10-11-20-15(17-18-16(20)22)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,22)