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

Systemtic Name: 4-bromanyl-3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-naphthamide Formula: C17H16BrN5O2S2 MolecularWeight: 466.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)SC

InChI

InChI=1S/C17H16BrN5O2S2/c1-9-20-21-17(27-3)23(9)22-16(26)19-15(24)12-8-10-6-4-5-7-11(10)13(18)14(12)25-2/h4-8H,1-3H3,(H2,19,22,24,26)