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

Systemtic Name: 5-bromanyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C22H18BrN5OS2 MolecularWeight: 512.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18BrN5OS2/c1-14-25-26-22(31-13-15-7-3-2-4-8-15)28(14)27-21(30)24-20(29)18-11-5-10-17-16(18)9-6-12-19(17)23/h2-12H,13H2,1H3,(H2,24,27,29,30)