2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamothioyl)ethanamide

Systemtic Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamothioyl)ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamothioyl)acetamide CAS Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[propylamino(sulfanylidene)methyl]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamothioyl)acetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(propylthiocarbamoyl)acetamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=S)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS2/c1-2-13-22-20(28)23-19(27)15-29-21-25-24-18(14-16-9-5-3-6-10-16)26(21)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H2,22,23,27,28)