N-[4-methoxy-3-(phenylmethyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-2-(3-propyl-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:

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)OC)CC3=CC=CC=C3

InChI

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