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

Systemtic Name: 5-bromanyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-1-naphthamide Formula: C17H16BrN5OS2 MolecularWeight: 450.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C

InChI

InChI=1S/C17H16BrN5OS2/c1-3-26-17-21-20-10(2)23(17)22-16(25)19-15(24)13-8-4-7-12-11(13)6-5-9-14(12)18/h4-9H,3H2,1-2H3,(H2,19,22,24,25)