N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC=C(C=C5)CSC6=NC=NN6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC=C(C=C5)CSC6=NC=NN6

InChI

InChI=1S/C23H25N5OS2/c29-20(18-3-1-14(2-4-18)11-30-21-24-13-25-28-21)27-22-26-19(12-31-22)23-8-15-5-16(9-23)7-17(6-15)10-23/h1-4,12-13,15-17H,5-11H2,(H,24,25,28)(H,26,27,29)