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

Systemtic Name: 2-(1-adamantyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]acetamide Formula: C18H27N5OS2 MolecularWeight: 393.56988

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H27N5OS2/c1-3-26-17-21-20-11(2)23(17)22-16(25)19-15(24)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,3-10H2,1-2H3,(H2,19,22,24,25)