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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-1-naphthamide Formula: C23H21N5OS2 MolecularWeight: 447.57574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N5OS2/c1-2-20-25-26-23(31-15-16-9-4-3-5-10-16)28(20)27-22(30)24-21(29)19-14-8-12-17-11-6-7-13-18(17)19/h3-14H,2,15H2,1H3,(H2,24,27,29,30)