N-(2-methyl-6-propan-2-yl-phenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C26H28N4OS2 MolecularWeight: 476.65672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H28N4OS2/c1-17(2)21-13-8-10-18(3)23(21)27-25(31)19(4)33-26-29-28-24(22-14-9-15-32-22)30(26)16-20-11-6-5-7-12-20/h5-15,17,19H,16H2,1-4H3,(H,27,31)