2-(1-adamantyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]acetamide Formula: C17H25N5OS2 MolecularWeight: 379.5433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)SC

InChI

InChI=1S/C17H25N5OS2/c1-10-19-20-16(25-2)22(10)21-15(24)18-14(23)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-9H2,1-2H3,(H2,18,21,23,24)