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

Systemtic Name: 4-tert-butyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C17H23N5OS2 MolecularWeight: 377.52742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS2/c1-6-25-16-20-19-11(2)22(16)21-15(24)18-14(23)12-7-9-13(10-8-12)17(3,4)5/h7-10H,6H2,1-5H3,(H2,18,21,23,24)