4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide CAS Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Traditional Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16(18-8-5-4-6-9-18)23-21(27)10-7-15-29-22-25-24-17(2)26(22)19-11-13-20(28-3)14-12-19/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,23,27)