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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C11H19N5OS2 MolecularWeight: 301.43146

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C11H19N5OS2/c1-5-19-11-14-13-8(4)16(11)15-10(18)12-9(17)6-7(2)3/h7H,5-6H2,1-4H3,(H2,12,15,17,18)