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

Systemtic Name: 5-bromanyl-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]-5-bromo-naphthalene-1-carboxamide CAS Name: 5-bromo-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]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C23H20BrN5OS2 MolecularWeight: 526.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)SCC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN5OS2/c1-2-20-26-27-23(32-14-15-8-4-3-5-9-15)29(20)28-22(31)25-21(30)18-12-6-11-17-16(18)10-7-13-19(17)24/h3-13H,2,14H2,1H3,(H2,25,28,30,31)