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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-methyl-N-[(1R)-1-phenylethyl]-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N(C)C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N(C)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-4-27-18-12-10-17(11-13-18)20-22-23-21(28)25(20)14-19(26)24(3)15(2)16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,23,28)/t15-/m1/s1