2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)ethanamide

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)ethanamide Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide CAS Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)acetamide IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide Traditional Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC

InChI

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