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

Systemtic Name: 4-tert-butyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS2/c1-15-24-25-21(30-14-16-8-6-5-7-9-16)27(15)26-20(29)23-19(28)17-10-12-18(13-11-17)22(2,3)4/h5-13H,14H2,1-4H3,(H2,23,26,28,29)