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

Systemtic Name: N-(phenylmethyl)-2-[[4-propan-2-yl-5-(5-propan-2-ylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzyl-2-[[4-isopropyl-5-(5-isopropyl-3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(phenylmethyl)-2-[[4-propan-2-yl-5-(5-propan-2-yl-3-thiophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-2-[[4-propan-2-yl-5-(5-propan-2-ylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-isopropyl-5-(5-isopropyl-3-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CS1)C2=NN=C(N2C(C)C)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=CS1)C2=NN=C(N2C(C)C)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS2/c1-14(2)18-10-17(12-27-18)20-23-24-21(25(20)15(3)4)28-13-19(26)22-11-16-8-6-5-7-9-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,22,26)