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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-phenylethyl]propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-phenylethyl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-phenylethyl]propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-phenylethyl]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-14(15-6-4-3-5-7-15)21-18(25)12-13-24-19(22-23-20(24)27)16-8-10-17(26-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,25)(H,23,27)/t14-/m1/s1