N-(1-adamantyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H30N4OS2 MolecularWeight: 478.6726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C26H30N4OS2/c1-17(24(31)27-26-13-19-10-20(14-26)12-21(11-19)15-26)33-25-29-28-23(22-8-5-9-32-22)30(25)16-18-6-3-2-4-7-18/h2-9,17,19-21H,10-16H2,1H3,(H,27,31)