2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N(CC2=CC=CC=C2)C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N(CC2=CC=CC=C2)C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32N4O2S/c1-5-6-16-28-24(21-12-14-22(31-4)15-13-21)26-27-25(28)32-18-23(30)29(19(2)3)17-20-10-8-7-9-11-20/h7-15,19H,5-6,16-18H2,1-4H3