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

Systemtic Name: 5-bromanyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]naphthalene-1-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-bromo-naphthalene-1-carboxamide CAS Name: 5-bromo-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-naphthalenecarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-bromonaphthalene-1-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-bromo-1-naphthamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4OS/c1-14-23-24-21(28-13-15-7-3-2-4-8-15)26(14)25-20(27)18-11-5-10-17-16(18)9-6-12-19(17)22/h2-12H,13H2,1H3,(H,25,27)