N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-propan-2-yl-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

InChI

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