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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-15(16-7-5-4-6-8-16)24(2)19(26)13-14-25-20(22-23-21(25)28)17-9-11-18(27-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,23,28)/t15-/m1/s1