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

Systemtic Name: 3-methyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]butanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)CC(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)CC(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS2/c1-11(2)9-14(22)17-15(23)20-21-12(3)18-19-16(21)24-10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,17,20,22,23)